4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide

C15H22N4O2S — CID 86802855

IUPAC4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
SMILESCc1ncsc1CNC(=O)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H22N4O2S/c1-11-13(22-10-17-11)9-16-15(21)19-6-2-5-18(7-8-19)14(20)12-3-4-12/h10,12H,2-9H2,1H3,(H,16,21)
InChIKeyRQNGXFFCIHVIRS-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.61
Rot. Bonds3

About 4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide

4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide (PubChem CID 86802855) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
PubChem CID86802855
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
SMILESCc1ncsc1CNC(=O)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H22N4O2S/c1-11-13(22-10-17-11)9-16-15(21)19-6-2-5-18(7-8-19)14(20)12-3-4-12/h10,12H,2-9H2,1H3,(H,16,21)
InChIKeyRQNGXFFCIHVIRS-UHFFFAOYSA-N
XLogP1.61
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-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-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761
4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide
CID 86803037
cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone
CID 97097278
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119115606
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826154
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990274
4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide
CID 91661725
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 84600062
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepane-1-carboxamide
CID 98574743
N-(1,3-benzothiazol-6-yl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99592169
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811347

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide (CID 86802855) is 4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide is Cc1ncsc1CNC(=O)N1CCCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is RQNGXFFCIHVIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-13(22-10-17-11)9-16-15(21)19-6-2-5-18(7-8-19)14(20)12-3-4-12/h10,12H,2-9H2,1H3,(H,16,21).
What are the key properties of 4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide?
4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 86802855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).