N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide

C12H15N3OS — CID 110470867

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2ccc[nH]2)s1
InChIInChI=1S/C12H15N3OS/c1-7-11(17-9(3)14-7)8(2)15-12(16)10-5-4-6-13-10/h4-6,8,13H,1-3H3,(H,15,16)
InChIKeyDCQMYVGRCOERHY-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.58
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 110470867) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID110470867
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2ccc[nH]2)s1
InChIInChI=1S/C12H15N3OS/c1-7-11(17-9(3)14-7)8(2)15-12(16)10-5-4-6-13-10/h4-6,8,13H,1-3H3,(H,15,16)
InChIKeyDCQMYVGRCOERHY-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)benzamide
CID 61376507
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 47317372
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 61149421
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 62174107
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 51094948
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 51121860
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 47317319
3-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]thiophene-2-carboxamide
CID 47317475
4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192187

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 110470867) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide is Cc1nc(C)c(C(C)NC(=O)c2ccc[nH]2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is DCQMYVGRCOERHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-11(17-9(3)14-7)8(2)15-12(16)10-5-4-6-13-10/h4-6,8,13H,1-3H3,(H,15,16).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110470867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).