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

C16H18N4OS2 — CID 71983946

IUPACN-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCCN(C(=O)c1cc(C)n(-c2nccs2)c1C)c1nc(C)cs1
InChIInChI=1S/C16H18N4OS2/c1-5-19(16-18-10(2)9-23-16)14(21)13-8-11(3)20(12(13)4)15-17-6-7-22-15/h6-9H,5H2,1-4H3
InChIKeyNKWFHLWTISEXQR-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.98
Rot. Bonds4

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

N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 71983946) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
PubChem CID71983946
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC NameN-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCCN(C(=O)c1cc(C)n(-c2nccs2)c1C)c1nc(C)cs1
InChIInChI=1S/C16H18N4OS2/c1-5-19(16-18-10(2)9-23-16)14(21)13-8-11(3)20(12(13)4)15-17-6-7-22-15/h6-9H,5H2,1-4H3
InChIKeyNKWFHLWTISEXQR-UHFFFAOYSA-N
XLogP3.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 71983946) is N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is CCN(C(=O)c1cc(C)n(-c2nccs2)c1C)c1nc(C)cs1.
What is the InChIKey of N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is NKWFHLWTISEXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-5-19(16-18-10(2)9-23-16)14(21)13-8-11(3)20(12(13)4)15-17-6-7-22-15/h6-9H,5H2,1-4H3.
What are the key properties of N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 71983946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).