2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole

C17H25N5S — CID 95610006

IUPAC2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1ncn(C[C@H]2CCCCN2Cc2csc(C3CCCC3)n2)n1
InChIInChI=1S/C17H25N5S/c1-2-6-14(5-1)17-20-15(11-23-17)9-21-8-4-3-7-16(21)10-22-13-18-12-19-22/h11-14,16H,1-10H2/t16-/m1/s1
InChIKeyOVAMFXFPQWJJCF-MRXNPFEDSA-N
MW331.49 g/mol
LogP3.45
Rot. Bonds5

About 2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole

2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 95610006) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID95610006
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1ncn(C[C@H]2CCCCN2Cc2csc(C3CCCC3)n2)n1
InChIInChI=1S/C17H25N5S/c1-2-6-14(5-1)17-20-15(11-23-17)9-21-8-4-3-7-16(21)10-22-13-18-12-19-22/h11-14,16H,1-10H2/t16-/m1/s1
InChIKeyOVAMFXFPQWJJCF-MRXNPFEDSA-N
XLogP3.45
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

N-[4-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95609755
2-(1-methylpyrazol-4-yl)-4-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95291824
2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95611716
(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95352014
2-methyl-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95291938
6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 56780613
4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzonitrile
CID 95609800
3-cyclopropyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95308426
5-cyclopropyl-3-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95302421
1-[[(2R)-1-[(4-phenylthiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 164629553
(2R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119913941
9-methyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95609825

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 95610006) is 2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is c1ncn(C[C@H]2CCCCN2Cc2csc(C3CCCC3)n2)n1.
What is the InChIKey of 2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is OVAMFXFPQWJJCF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N5S/c1-2-6-14(5-1)17-20-15(11-23-17)9-21-8-4-3-7-16(21)10-22-13-18-12-19-22/h11-14,16H,1-10H2/t16-/m1/s1.
What are the key properties of 2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 331.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 95610006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).