N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide

C20H22N6O3S2 — CID 21358377

IUPACN-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide
SMILESCNC(=O)Nc1nc(N)c(-c2nc(-c3cccc(NC(=O)C(=O)CC(C)C)c3)cs2)s1
InChIInChI=1S/C20H22N6O3S2/c1-10(2)7-14(27)17(28)23-12-6-4-5-11(8-12)13-9-30-18(24-13)15-16(21)25-20(31-15)26-19(29)22-3/h4-6,8-10H,7,21H2,1-3H3,(H,23,28)(H2,22,25,26,29)
InChIKeyVOLLOPNHWMODEZ-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.82
Rot. Bonds7

About N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide

N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide (PubChem CID 21358377) has the molecular formula C20H22N6O3S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide.

Molecular Properties

Compound NameN-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide
PubChem CID21358377
Molecular FormulaC20H22N6O3S2
Molecular Weight458.57 g/mol
Exact Mass458.12
IUPAC NameN-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide
SMILESCNC(=O)Nc1nc(N)c(-c2nc(-c3cccc(NC(=O)C(=O)CC(C)C)c3)cs2)s1
InChIInChI=1S/C20H22N6O3S2/c1-10(2)7-14(27)17(28)23-12-6-4-5-11(8-12)13-9-30-18(24-13)15-16(21)25-20(31-15)26-19(29)22-3/h4-6,8-10H,7,21H2,1-3H3,(H,23,28)(H2,22,25,26,29)
InChIKeyVOLLOPNHWMODEZ-UHFFFAOYSA-N
XLogP3.82
TPSA139.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide 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

N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-oxo-3-phenylpropanamide
CID 21358363
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 21358360
(3R)-N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-phenylbutanamide
CID 59093945
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 21358390
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide
CID 21358336
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 21358385
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-6-oxopyran-3-carboxamide
CID 21358389
1-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methylurea
CID 22994071
methyl N-[4-amino-5-[4-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]carbamate
CID 21358078
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methylpentanamide
CID 21358224
N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 21358100
N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 22993961

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide?
The IUPAC name of N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide (CID 21358377) is N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide.
What is the SMILES notation for N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide?
The canonical SMILES for N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide is CNC(=O)Nc1nc(N)c(-c2nc(-c3cccc(NC(=O)C(=O)CC(C)C)c3)cs2)s1.
What is the InChIKey of N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide?
The InChIKey is VOLLOPNHWMODEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S2/c1-10(2)7-14(27)17(28)23-12-6-4-5-11(8-12)13-9-30-18(24-13)15-16(21)25-20(31-15)26-19(29)22-3/h4-6,8-10H,7,21H2,1-3H3,(H,23,28)(H2,22,25,26,29).
What are the key properties of N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide?
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide has a molecular weight of 458.57 g/mol, XLogP of 3.82, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide is sourced from PubChem (CID 21358377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).