N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide

C28H35N5OS2 — CID 167262760

IUPACN-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
SMILESCC(C)(C)NSc1cc(NC(=O)N2CCc3cnccc3C2)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C28H35N5OS2/c1-28(2,3)32-36-24-15-22(31-27(34)33-14-12-20-16-29-13-11-21(20)18-33)9-10-23(24)25-17-30-26(35-25)19-7-5-4-6-8-19/h9-11,13,15-17,19,32H,4-8,12,14,18H2,1-3H3,(H,31,34)
InChIKeyFMQJUNIAMWBOEO-UHFFFAOYSA-N
MW521.76 g/mol
LogP7.24
Rot. Bonds5

About N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide

N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide (PubChem CID 167262760) has the molecular formula C28H35N5OS2 and a molecular weight of 521.76 g/mol. Its IUPAC name is N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
PubChem CID167262760
Molecular FormulaC28H35N5OS2
Molecular Weight521.76 g/mol
Exact Mass521.23
IUPAC NameN-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
SMILESCC(C)(C)NSc1cc(NC(=O)N2CCc3cnccc3C2)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C28H35N5OS2/c1-28(2,3)32-36-24-15-22(31-27(34)33-14-12-20-16-29-13-11-21(20)18-33)9-10-23(24)25-17-30-26(35-25)19-7-5-4-6-8-19/h9-11,13,15-17,19,32H,4-8,12,14,18H2,1-3H3,(H,31,34)
InChIKeyFMQJUNIAMWBOEO-UHFFFAOYSA-N
XLogP7.24
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.76
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]urea
CID 155429003
N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-1H-pyrazol-5-amine
CID 167262318
1-[3-(tert-butylamino)oxysulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3-(1-phenylethyl)urea
CID 167083645
6-(tert-butylamino)sulfanyl-5-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-1H-indole-2-carboxamide
CID 167262784
N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
CID 137411863
propan-2-yl carbamate;propan-2-yl N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-(piperidin-1-ylmethyl)phenyl]carbamate
CID 169263334
4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate
CID 155693657
N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
CID 134497963
1-[3-(tert-butylsulfamoyl)-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3-[(3Z,5Z)-6-(methylideneamino)hexa-3,5-dienyl]urea
CID 167083671
tert-butyl 4-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68751289
1-[3-(tert-butylsulfamoyl)-4-[2-[4-[[hydroxy(propan-2-yloxy)methyl]amino]cyclohexyl]-1,3-thiazol-5-yl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 155429207
propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 167263056

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide (CID 167262760) is N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide is CC(C)(C)NSc1cc(NC(=O)N2CCc3cnccc3C2)ccc1-c1cnc(C2CCCCC2)s1.
What is the InChIKey of N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The InChIKey is FMQJUNIAMWBOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5OS2/c1-28(2,3)32-36-24-15-22(31-27(34)33-14-12-20-16-29-13-11-21(20)18-33)9-10-23(24)25-17-30-26(35-25)19-7-5-4-6-8-19/h9-11,13,15-17,19,32H,4-8,12,14,18H2,1-3H3,(H,31,34).
What are the key properties of N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide has a molecular weight of 521.76 g/mol, XLogP of 7.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167262760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).