4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide

C16H24N4O2S — CID 91661725

IUPAC4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide
SMILESCC(CNC(=O)N1CCCN(C(=O)C2CC2)CC1)c1nccs1
InChIInChI=1S/C16H24N4O2S/c1-12(14-17-5-10-23-14)11-18-16(22)20-7-2-6-19(8-9-20)15(21)13-3-4-13/h5,10,12-13H,2-4,6-9,11H2,1H3,(H,18,22)
InChIKeyQRARYTUSDCOLLT-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.90
Rot. Bonds4

About 4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide

4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide (PubChem CID 91661725) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide
PubChem CID91661725
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide
SMILESCC(CNC(=O)N1CCCN(C(=O)C2CC2)CC1)c1nccs1
InChIInChI=1S/C16H24N4O2S/c1-12(14-17-5-10-23-14)11-18-16(22)20-7-2-6-19(8-9-20)15(21)13-3-4-13/h5,10,12-13H,2-4,6-9,11H2,1H3,(H,18,22)
InChIKeyQRARYTUSDCOLLT-UHFFFAOYSA-N
XLogP1.90
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-thiazol-2-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128675
4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124619050
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 127855193
N-(2-phenylpropyl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 48508752
4-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,4-diazepane-1-carboxamide
CID 86802773
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
CID 119068329
4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
CID 86802855
1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 97112090
4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide
CID 99596800
2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 114127550
4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide
CID 104584924

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide (CID 91661725) is 4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide is CC(CNC(=O)N1CCCN(C(=O)C2CC2)CC1)c1nccs1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide?
The InChIKey is QRARYTUSDCOLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-12(14-17-5-10-23-14)11-18-16(22)20-7-2-6-19(8-9-20)15(21)13-3-4-13/h5,10,12-13H,2-4,6-9,11H2,1H3,(H,18,22).
What are the key properties of 4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide?
4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 91661725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).