N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide

C14H17N5OS — CID 86986799

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C14H17N5OS/c1-11-10-21-13(16-11)17-14(20)19-8-6-18(7-9-19)12-2-4-15-5-3-12/h2-5,10H,6-9H2,1H3,(H,16,17,20)
InChIKeyGTYKHHWJTFFJQZ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.20
Rot. Bonds2

About N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 86986799) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID86986799
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C14H17N5OS/c1-11-10-21-13(16-11)17-14(20)19-8-6-18(7-9-19)12-2-4-15-5-3-12/h2-5,10H,6-9H2,1H3,(H,16,17,20)
InChIKeyGTYKHHWJTFFJQZ-UHFFFAOYSA-N
XLogP2.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide
CID 86836952
N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479
4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47193079
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71573129
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 89424116
N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
CID 158437458
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86916240
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide (CID 86986799) is N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide is Cc1csc(NC(=O)N2CCN(c3ccncc3)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is GTYKHHWJTFFJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-11-10-21-13(16-11)17-14(20)19-8-6-18(7-9-19)12-2-4-15-5-3-12/h2-5,10H,6-9H2,1H3,(H,16,17,20).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 86986799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).