(4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone

C11H12N2OS — CID 154476324

IUPAC(4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2=NC(N)CS2)c1
InChIInChI=1S/C11H12N2OS/c1-7-3-2-4-8(5-7)10(14)11-13-9(12)6-15-11/h2-5,9H,6,12H2,1H3
InChIKeyQTYVNSNBRFHLPS-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.61
Rot. Bonds2

About (4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone

(4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone (PubChem CID 154476324) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone
PubChem CID154476324
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2=NC(N)CS2)c1
InChIInChI=1S/C11H12N2OS/c1-7-3-2-4-8(5-7)10(14)11-13-9(12)6-15-11/h2-5,9H,6,12H2,1H3
InChIKeyQTYVNSNBRFHLPS-UHFFFAOYSA-N
XLogP1.61
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(3-methylphenyl)methanone
CID 17848
(3-methylbenzoyl)azanium
CID 153183849
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
(5-bromothiophen-2-yl)-(3-methylphenyl)methanone
CID 61101862
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone
CID 105079264
(1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone
CID 88765932
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079306
(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684
3-methylbenzoic acid
CID 7418
(4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone
CID 114962640

Frequently Asked Questions

What is the IUPAC name of (4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone?
The IUPAC name of (4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone (CID 154476324) is (4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)C2=NC(N)CS2)c1.
What is the InChIKey of (4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone?
The InChIKey is QTYVNSNBRFHLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-3-2-4-8(5-7)10(14)11-13-9(12)6-15-11/h2-5,9H,6,12H2,1H3.
What are the key properties of (4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone?
(4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone has a molecular weight of 220.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 154476324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).