(2-amino-1,3-thiazol-5-yl)-phenylmethanone

C10H8N2OS — CID 19956162

IUPAC(2-amino-1,3-thiazol-5-yl)-phenylmethanone
SMILESNc1ncc(C(=O)c2ccccc2)s1
InChIInChI=1S/C10H8N2OS/c11-10-12-6-8(14-10)9(13)7-4-2-1-3-5-7/h1-6H,(H2,11,12)
InChIKeyAJOABURBJQMQOP-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.96
Rot. Bonds2

About (2-amino-1,3-thiazol-5-yl)-phenylmethanone

(2-amino-1,3-thiazol-5-yl)-phenylmethanone (PubChem CID 19956162) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-5-yl)-phenylmethanone
PubChem CID19956162
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name(2-amino-1,3-thiazol-5-yl)-phenylmethanone
SMILESNc1ncc(C(=O)c2ccccc2)s1
InChIInChI=1S/C10H8N2OS/c11-10-12-6-8(14-10)9(13)7-4-2-1-3-5-7/h1-6H,(H2,11,12)
InChIKeyAJOABURBJQMQOP-UHFFFAOYSA-N
XLogP1.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Benzyl-1,3-thiazol-2-amine
CID 691952
N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 5329385
(4-Amino-2-(tert-butylamino)-1,3-thiazol-5-yl)(phenyl)methanone
CID 1484819
N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2083675
(2-Anilino-1,3-thiazol-5-yl)(4-fluorophenyl)methanone
CID 1482535
(4-Bromophenyl)(2-(methylamino)-5-thiazolyl)methanone
CID 1482554
(4-Chlorophenyl)[2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 1485897
(3,4-Dichlorophenyl)[2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 1485901
[2-(Methylamino)-1,3-thiazol-5-yl](phenyl)methanone
CID 1485902
N-(5-cyclobutylthiazol-2-yl)-2-phenylacetamide
CID 9921612
2-phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide
CID 16760027
N-(5-Ethylthiazol-2-yl)-2-phenylacetamide
CID 44396065

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-5-yl)-phenylmethanone?
The IUPAC name of (2-amino-1,3-thiazol-5-yl)-phenylmethanone (CID 19956162) is (2-amino-1,3-thiazol-5-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-1,3-thiazol-5-yl)-phenylmethanone?
The canonical SMILES for (2-amino-1,3-thiazol-5-yl)-phenylmethanone is Nc1ncc(C(=O)c2ccccc2)s1.
What is the InChIKey of (2-amino-1,3-thiazol-5-yl)-phenylmethanone?
The InChIKey is AJOABURBJQMQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c11-10-12-6-8(14-10)9(13)7-4-2-1-3-5-7/h1-6H,(H2,11,12).
What are the key properties of (2-amino-1,3-thiazol-5-yl)-phenylmethanone?
(2-amino-1,3-thiazol-5-yl)-phenylmethanone has a molecular weight of 204.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-5-yl)-phenylmethanone is sourced from PubChem (CID 19956162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).