N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C10H11N3OS — CID 53013907

IUPACN,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-n2cccc2)nc1C
InChIInChI=1S/C10H11N3OS/c1-7-8(9(14)11-2)15-10(12-7)13-5-3-4-6-13/h3-6H,1-2H3,(H,11,14)
InChIKeyGAUYGNSPFMVTIM-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.60
Rot. Bonds2

About N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 53013907) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID53013907
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-n2cccc2)nc1C
InChIInChI=1S/C10H11N3OS/c1-7-8(9(14)11-2)15-10(12-7)13-5-3-4-6-13/h3-6H,1-2H3,(H,11,14)
InChIKeyGAUYGNSPFMVTIM-UHFFFAOYSA-N
XLogP1.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 53013907) is N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(-n2cccc2)nc1C.
What is the InChIKey of N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GAUYGNSPFMVTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-8(9(14)11-2)15-10(12-7)13-5-3-4-6-13/h3-6H,1-2H3,(H,11,14).
What are the key properties of N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53013907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).