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

C15H23N5S — CID 56781100

IUPAC2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCCCc1nc(CN2CCCCC2Cn2cncn2)cs1
InChIInChI=1S/C15H23N5S/c1-2-5-15-18-13(10-21-15)8-19-7-4-3-6-14(19)9-20-12-16-11-17-20/h10-12,14H,2-9H2,1H3
InChIKeyYKNGRSSJQQKDNP-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.74
Rot. Bonds6

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

2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 56781100) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID56781100
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCCCc1nc(CN2CCCCC2Cn2cncn2)cs1
InChIInChI=1S/C15H23N5S/c1-2-5-15-18-13(10-21-15)8-19-7-4-3-6-14(19)9-20-12-16-11-17-20/h10-12,14H,2-9H2,1H3
InChIKeyYKNGRSSJQQKDNP-UHFFFAOYSA-N
XLogP2.74
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 53573122
N,N-dimethyl-2-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53583185
2-Propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 53587788
N-methyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53589778
2-Cyclohexyl-4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 53590277
2-Propan-2-yl-4-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53603957
N,N-dimethyl-2-[4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53607213
2-Tert-butyl-4-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53612039
4-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 53613920
N-methyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53616641
4-[(2-Propyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 53625296
2-Cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 56780661

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 56781100) is 2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is CCCc1nc(CN2CCCCC2Cn2cncn2)cs1.
What is the InChIKey of 2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is YKNGRSSJQQKDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-2-5-15-18-13(10-21-15)8-19-7-4-3-6-14(19)9-20-12-16-11-17-20/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 305.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 56781100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).