(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone

C12H12N2O2S — CID 82131144

IUPAC(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)c2ccccc2OC)cs1
InChIInChI=1S/C12H12N2O2S/c1-13-12-14-9(7-17-12)11(15)8-5-3-4-6-10(8)16-2/h3-7H,1-2H3,(H,13,14)
InChIKeyWZSKSQATOGTRCM-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.42
Rot. Bonds4

About (2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone

(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 82131144) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is (2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID82131144
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)c2ccccc2OC)cs1
InChIInChI=1S/C12H12N2O2S/c1-13-12-14-9(7-17-12)11(15)8-5-3-4-6-10(8)16-2/h3-7H,1-2H3,(H,13,14)
InChIKeyWZSKSQATOGTRCM-UHFFFAOYSA-N
XLogP2.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone
CID 66780236
2-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 100801615
N-[2-(dimethylamino)ethyl]-2-[(2-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 19611237
2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one
CID 89257366
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243
3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide
CID 110397933
(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 53364342
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 24634049
(5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 82132569
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
2,5-dimethoxy-N-[3-[[4-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442779
(3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone
CID 79602326

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 82131144) is (2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)c2ccccc2OC)cs1.
What is the InChIKey of (2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is WZSKSQATOGTRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-13-12-14-9(7-17-12)11(15)8-5-3-4-6-10(8)16-2/h3-7H,1-2H3,(H,13,14).
What are the key properties of (2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 248.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 82131144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).