2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

C14H22N2S — CID 104928728

IUPAC2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCC1CCCC(c2nc([C@@H]3CCCN3)cs2)C1
InChIInChI=1S/C14H22N2S/c1-10-4-2-5-11(8-10)14-16-13(9-17-14)12-6-3-7-15-12/h9-12,15H,2-8H2,1H3/t10?,11?,12-/m0/s1
InChIKeyDULLTGBUBFPSJF-MCIGGMRASA-N
MW250.41 g/mol
LogP3.86
Rot. Bonds2

About 2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 104928728) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID104928728
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCC1CCCC(c2nc([C@@H]3CCCN3)cs2)C1
InChIInChI=1S/C14H22N2S/c1-10-4-2-5-11(8-10)14-16-13(9-17-14)12-6-3-7-15-12/h9-12,15H,2-8H2,1H3/t10?,11?,12-/m0/s1
InChIKeyDULLTGBUBFPSJF-MCIGGMRASA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-2-piperidin-2-yl-1,3-thiazole
CID 62634064
N-methyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704146
N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 72942833
4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 67579600
N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704147
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole
CID 66056536
4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole
CID 107511846
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276
3-(3-methylcyclohexyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900508
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (CID 104928728) is 2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is CC1CCCC(c2nc([C@@H]3CCCN3)cs2)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is DULLTGBUBFPSJF-MCIGGMRASA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-4-2-5-11(8-10)14-16-13(9-17-14)12-6-3-7-15-12/h9-12,15H,2-8H2,1H3/t10?,11?,12-/m0/s1.
What are the key properties of 2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 250.41 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 104928728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).