2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C16H26N4OS — CID 167773947

IUPAC2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C16H26N4OS/c1-13(15(21)18-16-17-7-12-22-16)19-8-4-9-20(11-10-19)14-5-2-3-6-14/h7,12-14H,2-6,8-11H2,1H3,(H,17,18,21)
InChIKeyNXVZAWNMWFAAFF-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.42
Rot. Bonds4

About 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide

2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 167773947) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID167773947
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C16H26N4OS/c1-13(15(21)18-16-17-7-12-22-16)19-8-4-9-20(11-10-19)14-5-2-3-6-14/h7,12-14H,2-6,8-11H2,1H3,(H,17,18,21)
InChIKeyNXVZAWNMWFAAFF-UHFFFAOYSA-N
XLogP2.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95144394
2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 50960716
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 41312846
(2S)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 97313518
2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71878628
(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 30138516
2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide
CID 86928080
2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 86928056
(2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95780126
(2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 124757710

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 167773947) is 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(C(=O)Nc1nccs1)N1CCCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is NXVZAWNMWFAAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-13(15(21)18-16-17-7-12-22-16)19-8-4-9-20(11-10-19)14-5-2-3-6-14/h7,12-14H,2-6,8-11H2,1H3,(H,17,18,21).
What are the key properties of 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 322.48 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 167773947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).