N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide

C26H28N5OPS — CID 126486321

IUPACN-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(P)c1-c1nc(C(=O)Nc2cnc3ccccc3c2N2CCCC(N)C2)c(C)s1
InChIInChI=1S/C26H28N5OPS/c1-15-7-5-11-21(33)22(15)26-30-23(16(2)34-26)25(32)29-20-13-28-19-10-4-3-9-18(19)24(20)31-12-6-8-17(27)14-31/h3-5,7,9-11,13,17H,6,8,12,14,27,33H2,1-2H3,(H,29,32)
InChIKeyHACNSFPCJSZUSW-UHFFFAOYSA-N
MW489.59 g/mol
LogP4.66
Rot. Bonds4

About N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide

N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 126486321) has the molecular formula C26H28N5OPS and a molecular weight of 489.59 g/mol. Its IUPAC name is N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID126486321
Molecular FormulaC26H28N5OPS
Molecular Weight489.59 g/mol
Exact Mass489.18
IUPAC NameN-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(P)c1-c1nc(C(=O)Nc2cnc3ccccc3c2N2CCCC(N)C2)c(C)s1
InChIInChI=1S/C26H28N5OPS/c1-15-7-5-11-21(33)22(15)26-30-23(16(2)34-26)25(32)29-20-13-28-19-10-4-3-9-18(19)24(20)31-12-6-8-17(27)14-31/h3-5,7,9-11,13,17H,6,8,12,14,27,33H2,1-2H3,(H,29,32)
InChIKeyHACNSFPCJSZUSW-UHFFFAOYSA-N
XLogP4.66
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[7-[(3S)-3-aminopiperidin-1-yl]thieno[3,2-b]pyridin-6-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 86726665
tert-butyl N-[2-(2,6-difluorophenyl)-4-[[4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]quinolin-3-yl]carbamoyl]-1,3-thiazol-5-yl]carbamate
CID 86726652
5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 67499805
tert-butyl N-[(3S)-1-[3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]quinolin-4-yl]piperidin-3-yl]carbamate
CID 86726654
5-amino-N-[5-[(3R)-3-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482781
5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482603
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 58182177
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 51002498
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]pyridin-1-ium-3-yl]-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 163835531
3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-7-ethylquinoline-2-carboxamide
CID 86726876
N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 58464905
5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 58465102

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide (CID 126486321) is N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide is Cc1cccc(P)c1-c1nc(C(=O)Nc2cnc3ccccc3c2N2CCCC(N)C2)c(C)s1.
What is the InChIKey of N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HACNSFPCJSZUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N5OPS/c1-15-7-5-11-21(33)22(15)26-30-23(16(2)34-26)25(32)29-20-13-28-19-10-4-3-9-18(19)24(20)31-12-6-8-17(27)14-31/h3-5,7,9-11,13,17H,6,8,12,14,27,33H2,1-2H3,(H,29,32).
What are the key properties of N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide?
N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 489.59 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopiperidin-1-yl)quinolin-3-yl]-5-methyl-2-(2-methyl-6-phosphanylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126486321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).