(2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone

C11H10N2OS — CID 10353333

IUPAC(2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2csc(N)n2)cc1
InChIInChI=1S/C11H10N2OS/c1-7-2-4-8(5-3-7)10(14)9-6-15-11(12)13-9/h2-6H,1H3,(H2,12,13)
InChIKeyUWICVFCZTLBTDE-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.26
Rot. Bonds2

About (2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone

(2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone (PubChem CID 10353333) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone
PubChem CID10353333
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name(2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2csc(N)n2)cc1
InChIInChI=1S/C11H10N2OS/c1-7-2-4-8(5-3-7)10(14)9-6-15-11(12)13-9/h2-6H,1H3,(H2,12,13)
InChIKeyUWICVFCZTLBTDE-UHFFFAOYSA-N
XLogP2.26
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone
CID 94692761
2-amino-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62788957
methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate
CID 10016291
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688
methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2060012
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol
CID 145366322
(2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone
CID 82133581
1-(2-amino-1,3-thiazol-4-yl)butan-1-one
CID 13040576
4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide
CID 87581411

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone (CID 10353333) is (2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2csc(N)n2)cc1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone?
The InChIKey is UWICVFCZTLBTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-7-2-4-8(5-3-7)10(14)9-6-15-11(12)13-9/h2-6H,1H3,(H2,12,13).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone?
(2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone has a molecular weight of 218.28 g/mol, XLogP of 2.26, 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-4-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 10353333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).