1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

C14H19N3OS — CID 3814421

IUPAC1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCCCCn1c(C)c(C(N)=O)c(-c2nccs2)c1C
InChIInChI=1S/C14H19N3OS/c1-4-5-7-17-9(2)11(13(15)18)12(10(17)3)14-16-6-8-19-14/h6,8H,4-5,7H2,1-3H3,(H2,15,18)
InChIKeyVYKYBERSWVADEP-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.13
Rot. Bonds5

About 1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 3814421) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
PubChem CID3814421
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCCCCn1c(C)c(C(N)=O)c(-c2nccs2)c1C
InChIInChI=1S/C14H19N3OS/c1-4-5-7-17-9(2)11(13(15)18)12(10(17)3)14-16-6-8-19-14/h6,8H,4-5,7H2,1-3H3,(H2,15,18)
InChIKeyVYKYBERSWVADEP-UHFFFAOYSA-N
XLogP3.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 3814421) is 1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is CCCCn1c(C)c(C(N)=O)c(-c2nccs2)c1C.
What is the InChIKey of 1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is VYKYBERSWVADEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-5-7-17-9(2)11(13(15)18)12(10(17)3)14-16-6-8-19-14/h6,8H,4-5,7H2,1-3H3,(H2,15,18).
What are the key properties of 1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,5-dimethyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 3814421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).