N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide

C13H17N7O2S — CID 74241855

IUPACN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
SMILESO=C(CCNC(=O)C1CCCCn2nnnc21)Nc1nccs1
InChIInChI=1S/C13H17N7O2S/c21-10(16-13-15-6-8-23-13)4-5-14-12(22)9-3-1-2-7-20-11(9)17-18-19-20/h6,8-9H,1-5,7H2,(H,14,22)(H,15,16,21)
InChIKeyIMQXODUVPNNRKN-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.54
Rot. Bonds5

About N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide

N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide (PubChem CID 74241855) has the molecular formula C13H17N7O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
PubChem CID74241855
Molecular FormulaC13H17N7O2S
Molecular Weight335.39 g/mol
Exact Mass335.12
IUPAC NameN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
SMILESO=C(CCNC(=O)C1CCCCn2nnnc21)Nc1nccs1
InChIInChI=1S/C13H17N7O2S/c21-10(16-13-15-6-8-23-13)4-5-14-12(22)9-3-1-2-7-20-11(9)17-18-19-20/h6,8-9H,1-5,7H2,(H,14,22)(H,15,16,21)
InChIKeyIMQXODUVPNNRKN-UHFFFAOYSA-N
XLogP0.54
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-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

N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
(9S)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125172565
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201
(9S)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125447573
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70719139
3-(4-hydroxypiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 86217821
1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide
CID 42654766
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide
CID 75592309
5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide
CID 50955525
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 88759235

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The IUPAC name of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide (CID 74241855) is N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The canonical SMILES for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide is O=C(CCNC(=O)C1CCCCn2nnnc21)Nc1nccs1.
What is the InChIKey of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The InChIKey is IMQXODUVPNNRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O2S/c21-10(16-13-15-6-8-23-13)4-5-14-12(22)9-3-1-2-7-20-11(9)17-18-19-20/h6,8-9H,1-5,7H2,(H,14,22)(H,15,16,21).
What are the key properties of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide is sourced from PubChem (CID 74241855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).