3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide

C13H15ClN2OS2 — CID 91789702

IUPAC3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCc1nc(C(C)C)sc1CNC(=O)c1sccc1Cl
InChIInChI=1S/C13H15ClN2OS2/c1-7(2)13-16-8(3)10(19-13)6-15-12(17)11-9(14)4-5-18-11/h4-5,7H,6H2,1-3H3,(H,15,17)
InChIKeyORJFVPQQLBVATC-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.22
Rot. Bonds4

About 3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide

3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 91789702) has the molecular formula C13H15ClN2OS2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
PubChem CID91789702
Molecular FormulaC13H15ClN2OS2
Molecular Weight314.86 g/mol
Exact Mass314.03
IUPAC Name3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCc1nc(C(C)C)sc1CNC(=O)c1sccc1Cl
InChIInChI=1S/C13H15ClN2OS2/c1-7(2)13-16-8(3)10(19-13)6-15-12(17)11-9(14)4-5-18-11/h4-5,7H,6H2,1-3H3,(H,15,17)
InChIKeyORJFVPQQLBVATC-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide (CID 91789702) is 3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide is Cc1nc(C(C)C)sc1CNC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ORJFVPQQLBVATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS2/c1-7(2)13-16-8(3)10(19-13)6-15-12(17)11-9(14)4-5-18-11/h4-5,7H,6H2,1-3H3,(H,15,17).
What are the key properties of 3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide?
3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide has a molecular weight of 314.86 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 91789702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).