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

C15H13N3OS2 — CID 11544198

IUPAC5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1ncsc1CCc1ccccc1
InChIInChI=1S/C15H13N3OS2/c19-14(18-15-16-8-9-20-15)13-12(21-10-17-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,18,19)
InChIKeyORVKVXDJIHVRSH-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.64
Rot. Bonds5

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

5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 11544198) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID11544198
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1ncsc1CCc1ccccc1
InChIInChI=1S/C15H13N3OS2/c19-14(18-15-16-8-9-20-15)13-12(21-10-17-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,18,19)
InChIKeyORVKVXDJIHVRSH-UHFFFAOYSA-N
XLogP3.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 4956346
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 47148360
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 154975421
3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 87646961
1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
CID 17015603
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
2-benzylsulfanyl-5-phenylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 26820996
3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 175248146
6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 91816331
2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide
CID 3158209

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 11544198) is 5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1nccs1)c1ncsc1CCc1ccccc1.
What is the InChIKey of 5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ORVKVXDJIHVRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c19-14(18-15-16-8-9-20-15)13-12(21-10-17-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,18,19).
What are the key properties of 5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11544198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).