N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide

C12H13ClN2OS2 — CID 1247280

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C12H13ClN2OS2/c1-12(2,3)8-6-17-11(14-8)15-10(16)7-4-5-9(13)18-7/h4-6H,1-3H3,(H,14,15,16)
InChIKeyYUTBOPAMPWHRDZ-UHFFFAOYSA-N
MW300.84 g/mol
LogP4.41
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide (PubChem CID 1247280) has the molecular formula C12H13ClN2OS2 and a molecular weight of 300.84 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide
PubChem CID1247280
Molecular FormulaC12H13ClN2OS2
Molecular Weight300.84 g/mol
Exact Mass300.02
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C12H13ClN2OS2/c1-12(2,3)8-6-17-11(14-8)15-10(16)7-4-5-9(13)18-7/h4-6H,1-3H3,(H,14,15,16)
InChIKeyYUTBOPAMPWHRDZ-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide (CID 1247280) is N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide is CC(C)(C)c1csc(NC(=O)c2ccc(Cl)s2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide?
The InChIKey is YUTBOPAMPWHRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS2/c1-12(2,3)8-6-17-11(14-8)15-10(16)7-4-5-9(13)18-7/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide has a molecular weight of 300.84 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 1247280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).