N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

C13H17N3OS2 — CID 122565410

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1csc(CCNC(=O)c2nc(C(C)C)cs2)n1
InChIInChI=1S/C13H17N3OS2/c1-8(2)10-7-19-13(16-10)12(17)14-5-4-11-15-9(3)6-18-11/h6-8H,4-5H2,1-3H3,(H,14,17)
InChIKeyFELDJVINYQBCJK-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 122565410) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID122565410
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1csc(CCNC(=O)c2nc(C(C)C)cs2)n1
InChIInChI=1S/C13H17N3OS2/c1-8(2)10-7-19-13(16-10)12(17)14-5-4-11-15-9(3)6-18-11/h6-8H,4-5H2,1-3H3,(H,14,17)
InChIKeyFELDJVINYQBCJK-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
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2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
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2-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
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1-[(2R)-3-methylbutan-2-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
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1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
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2-[methyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
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N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
CID 110440180
4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 77092555
4-methyl-N-propyl-1,3-thiazole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 122565410) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is Cc1csc(CCNC(=O)c2nc(C(C)C)cs2)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is FELDJVINYQBCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-8(2)10-7-19-13(16-10)12(17)14-5-4-11-15-9(3)6-18-11/h6-8H,4-5H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 122565410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).