N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

C14H19N3OS — CID 78881613

IUPACN,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)n(-c2nccs2)c1C
InChIInChI=1S/C14H19N3OS/c1-5-16(6-2)13(18)12-9-10(3)17(11(12)4)14-15-7-8-19-14/h7-9H,5-6H2,1-4H3
InChIKeyDZTLTLXYNNKIRK-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.03
Rot. Bonds4

About N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 78881613) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
PubChem CID78881613
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)n(-c2nccs2)c1C
InChIInChI=1S/C14H19N3OS/c1-5-16(6-2)13(18)12-9-10(3)17(11(12)4)14-15-7-8-19-14/h7-9H,5-6H2,1-4H3
InChIKeyDZTLTLXYNNKIRK-UHFFFAOYSA-N
XLogP3.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 86983409
N-ethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78886012
N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 71983946
1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-ethylsulfanylethanone
CID 75416296
2,5-dimethyl-N-[2-(methylamino)propyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 120826611
2-[4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 78898457
N-(3-ethyl-2-hydroxypentyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 111116021
N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78864105
2,5-dimethyl-N-[(4-methylphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 86983280
1-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539486
2,5-dimethyl-N-methylsulfonyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 146154693
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 119523935

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 78881613) is N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is CCN(CC)C(=O)c1cc(C)n(-c2nccs2)c1C.
What is the InChIKey of N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is DZTLTLXYNNKIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-5-16(6-2)13(18)12-9-10(3)17(11(12)4)14-15-7-8-19-14/h7-9H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78881613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).