N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H18N6O3S — CID 78845129

IUPACN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)Nc3nc(-c4c[nH]c(C(N)=O)c4)cs3)c12
InChIInChI=1S/C19H18N6O3S/c1-8(2)12-5-11(15-9(3)25-28-18(15)22-12)17(27)24-19-23-14(7-29-19)10-4-13(16(20)26)21-6-10/h4-8,21H,1-3H3,(H2,20,26)(H,23,24,27)
InChIKeyPSZCEKYZZWOSTK-UHFFFAOYSA-N
MW410.46 g/mol
LogP3.46
Rot. Bonds5

About N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78845129) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78845129
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC NameN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)Nc3nc(-c4c[nH]c(C(N)=O)c4)cs3)c12
InChIInChI=1S/C19H18N6O3S/c1-8(2)12-5-11(15-9(3)25-28-18(15)22-12)17(27)24-19-23-14(7-29-19)10-4-13(16(20)26)21-6-10/h4-8,21H,1-3H3,(H2,20,26)(H,23,24,27)
InChIKeyPSZCEKYZZWOSTK-UHFFFAOYSA-N
XLogP3.46
TPSA139.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-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

3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78866517
4-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37139611
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37141769
4-[2-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38152941
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 134053387
4-[2-[(2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37141646
4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151212
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78845131
4-[2-[(5-chloro-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 30710663
4-[2-[(5-bromo-2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 30658540
4-[2-[(3,5-dichlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46539593
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78845129) is N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)Nc3nc(-c4c[nH]c(C(N)=O)c4)cs3)c12.
What is the InChIKey of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PSZCEKYZZWOSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c1-8(2)12-5-11(15-9(3)25-28-18(15)22-12)17(27)24-19-23-14(7-29-19)10-4-13(16(20)26)21-6-10/h4-8,21H,1-3H3,(H2,20,26)(H,23,24,27).
What are the key properties of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78845129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).