N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

C13H16N4OS2 — CID 3870626

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESCc1cnc(NC(=O)c2csc(C3CCNCC3)n2)s1
InChIInChI=1S/C13H16N4OS2/c1-8-6-15-13(20-8)17-11(18)10-7-19-12(16-10)9-2-4-14-5-3-9/h6-7,9,14H,2-5H2,1H3,(H,15,17,18)
InChIKeyCXCLVCSRAQSVRY-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.63
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 3870626) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID3870626
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESCc1cnc(NC(=O)c2csc(C3CCNCC3)n2)s1
InChIInChI=1S/C13H16N4OS2/c1-8-6-15-13(20-8)17-11(18)10-7-19-12(16-10)9-2-4-14-5-3-9/h6-7,9,14H,2-5H2,1H3,(H,15,17,18)
InChIKeyCXCLVCSRAQSVRY-UHFFFAOYSA-N
XLogP2.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (CID 3870626) is N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is Cc1cnc(NC(=O)c2csc(C3CCNCC3)n2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CXCLVCSRAQSVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-8-6-15-13(20-8)17-11(18)10-7-19-12(16-10)9-2-4-14-5-3-9/h6-7,9,14H,2-5H2,1H3,(H,15,17,18).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3870626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).