N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide

C13H17N3OS — CID 131926202

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCCc1nc(CNC(=O)c2ccc(C)n2C)cs1
InChIInChI=1S/C13H17N3OS/c1-4-12-15-10(8-18-12)7-14-13(17)11-6-5-9(2)16(11)3/h5-6,8H,4,7H2,1-3H3,(H,14,17)
InChIKeyPSTGVBGECBIHPQ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.28
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 131926202) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID131926202
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCCc1nc(CNC(=O)c2ccc(C)n2C)cs1
InChIInChI=1S/C13H17N3OS/c1-4-12-15-10(8-18-12)7-14-13(17)11-6-5-9(2)16(11)3/h5-6,8H,4,7H2,1-3H3,(H,14,17)
InChIKeyPSTGVBGECBIHPQ-UHFFFAOYSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide (CID 131926202) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide is CCc1nc(CNC(=O)c2ccc(C)n2C)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is PSTGVBGECBIHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-4-12-15-10(8-18-12)7-14-13(17)11-6-5-9(2)16(11)3/h5-6,8H,4,7H2,1-3H3,(H,14,17).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 131926202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).