2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole

C15H25N3O2S2 — CID 165435501

IUPAC2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCCN(Cc2csc(C3CCCC3)n2)CC1
InChIInChI=1S/C15H25N3O2S2/c1-22(19,20)18-8-4-7-17(9-10-18)11-14-12-21-15(16-14)13-5-2-3-6-13/h12-13H,2-11H2,1H3
InChIKeyCXWMYMSRWYIIOK-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.27
Rot. Bonds4

About 2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole

2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole (PubChem CID 165435501) has the molecular formula C15H25N3O2S2 and a molecular weight of 343.52 g/mol. Its IUPAC name is 2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
PubChem CID165435501
Molecular FormulaC15H25N3O2S2
Molecular Weight343.52 g/mol
Exact Mass343.14
IUPAC Name2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCCN(Cc2csc(C3CCCC3)n2)CC1
InChIInChI=1S/C15H25N3O2S2/c1-22(19,20)18-8-4-7-17(9-10-18)11-14-12-21-15(16-14)13-5-2-3-6-13/h12-13H,2-11H2,1H3
InChIKeyCXWMYMSRWYIIOK-UHFFFAOYSA-N
XLogP2.27
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
5-cyclopropyl-3-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole
CID 165435543
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133
2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171130226
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56812929
4-(chloromethyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62994658
N-[(2S)-butan-2-yl]-2-[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 51946628
N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine
CID 91839682
2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 39721537
N-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328418
3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 122101002

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole (CID 165435501) is 2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole is CS(=O)(=O)N1CCCN(Cc2csc(C3CCCC3)n2)CC1.
What is the InChIKey of 2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole?
The InChIKey is CXWMYMSRWYIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S2/c1-22(19,20)18-8-4-7-17(9-10-18)11-14-12-21-15(16-14)13-5-2-3-6-13/h12-13H,2-11H2,1H3.
What are the key properties of 2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole?
2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole has a molecular weight of 343.52 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 165435501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).