6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

C14H18N6S — CID 56780663

IUPAC6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ncn(CC2CCCCN2Cc2cn3ccsc3n2)n1
InChIInChI=1S/C14H18N6S/c1-2-4-18(13(3-1)9-20-11-15-10-16-20)7-12-8-19-5-6-21-14(19)17-12/h5-6,8,10-11,13H,1-4,7,9H2
InChIKeyIVLCXAGCVCJNNO-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.04
Rot. Bonds4

About 6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 56780663) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is 6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID56780663
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ncn(CC2CCCCN2Cc2cn3ccsc3n2)n1
InChIInChI=1S/C14H18N6S/c1-2-4-18(13(3-1)9-20-11-15-10-16-20)7-12-8-19-5-6-21-14(19)17-12/h5-6,8,10-11,13H,1-4,7,9H2
InChIKeyIVLCXAGCVCJNNO-UHFFFAOYSA-N
XLogP2.04
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 56780663) is 6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is c1ncn(CC2CCCCN2Cc2cn3ccsc3n2)n1.
What is the InChIKey of 6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is IVLCXAGCVCJNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-2-4-18(13(3-1)9-20-11-15-10-16-20)7-12-8-19-5-6-21-14(19)17-12/h5-6,8,10-11,13H,1-4,7,9H2.
What are the key properties of 6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 302.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 56780663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).