N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide

C12H13N3OS2 — CID 47426290

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2nc(C3CC3)cs2)s1
InChIInChI=1S/C12H13N3OS2/c1-2-10-13-5-9(18-10)11(16)15-12-14-8(6-17-12)7-3-4-7/h5-7H,2-4H2,1H3,(H,14,15,16)
InChIKeyYILFUHQREKAGRW-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.29
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 47426290) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID47426290
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2nc(C3CC3)cs2)s1
InChIInChI=1S/C12H13N3OS2/c1-2-10-13-5-9(18-10)11(16)15-12-14-8(6-17-12)7-3-4-7/h5-7H,2-4H2,1H3,(H,14,15,16)
InChIKeyYILFUHQREKAGRW-UHFFFAOYSA-N
XLogP3.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107375056
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 32863519
3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 107980376
N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-carboxamide
CID 62174816
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3-diethylquinoxaline-6-carboxamide
CID 30858486
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide
CID 79805640
2-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47426169
2-(tert-butylamino)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47842528
5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 32865110
N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43060966

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide (CID 47426290) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)Nc2nc(C3CC3)cs2)s1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YILFUHQREKAGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-2-10-13-5-9(18-10)11(16)15-12-14-8(6-17-12)7-3-4-7/h5-7H,2-4H2,1H3,(H,14,15,16).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47426290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).