N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

C9H14N4OS — CID 83579539

IUPACN-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C9H14N4OS/c1-10-8(14)7-6-12-9(15-7)13-4-2-11-3-5-13/h6,11H,2-5H2,1H3,(H,10,14)
InChIKeyKPAYFHPLBMJTAU-UHFFFAOYSA-N
MW226.30 g/mol
LogP-0.09
Rot. Bonds2

About N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 83579539) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID83579539
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C9H14N4OS/c1-10-8(14)7-6-12-9(15-7)13-4-2-11-3-5-13/h6,11H,2-5H2,1H3,(H,10,14)
InChIKeyKPAYFHPLBMJTAU-UHFFFAOYSA-N
XLogP-0.09
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 83579539) is N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(N2CCNCC2)s1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KPAYFHPLBMJTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-10-8(14)7-6-12-9(15-7)13-4-2-11-3-5-13/h6,11H,2-5H2,1H3,(H,10,14).
What are the key properties of N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 226.30 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 83579539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).