2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C18H19N5O2S3 — CID 3685941

IUPAC2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCC(c3nc(C(=O)Nc4nccs4)cs3)CC2)s1
InChIInChI=1S/C18H19N5O2S3/c1-10-14(28-11(2)20-10)17(25)23-6-3-12(4-7-23)16-21-13(9-27-16)15(24)22-18-19-5-8-26-18/h5,8-9,12H,3-4,6-7H2,1-2H3,(H,19,22,24)
InChIKeyNZFKBVOVHLLWIA-UHFFFAOYSA-N
MW433.58 g/mol
LogP3.95
Rot. Bonds4

About 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 3685941) has the molecular formula C18H19N5O2S3 and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID3685941
Molecular FormulaC18H19N5O2S3
Molecular Weight433.58 g/mol
Exact Mass433.07
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCC(c3nc(C(=O)Nc4nccs4)cs3)CC2)s1
InChIInChI=1S/C18H19N5O2S3/c1-10-14(28-11(2)20-10)17(25)23-6-3-12(4-7-23)16-21-13(9-27-16)15(24)22-18-19-5-8-26-18/h5,8-9,12H,3-4,6-7H2,1-2H3,(H,19,22,24)
InChIKeyNZFKBVOVHLLWIA-UHFFFAOYSA-N
XLogP3.95
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 3685941) is 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1nc(C)c(C(=O)N2CCC(c3nc(C(=O)Nc4nccs4)cs3)CC2)s1.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NZFKBVOVHLLWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S3/c1-10-14(28-11(2)20-10)17(25)23-6-3-12(4-7-23)16-21-13(9-27-16)15(24)22-18-19-5-8-26-18/h5,8-9,12H,3-4,6-7H2,1-2H3,(H,19,22,24).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3685941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).