6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one

C15H15N3O2S — CID 154843667

IUPAC6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(-c3csc(NCC4CC4)n3)ccc21
InChIInChI=1S/C15H15N3O2S/c1-18-12-5-4-10(6-13(12)20-15(18)19)11-8-21-14(17-11)16-7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyDOERZQYDHFEFFN-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.08
Rot. Bonds4

About 6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one

6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 154843667) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID154843667
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(-c3csc(NCC4CC4)n3)ccc21
InChIInChI=1S/C15H15N3O2S/c1-18-12-5-4-10(6-13(12)20-15(18)19)11-8-21-14(17-11)16-7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyDOERZQYDHFEFFN-UHFFFAOYSA-N
XLogP3.08
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116967996
6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one
CID 47092547
6-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 82090470
4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
CID 59822262
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 112813687
5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile
CID 59828899
N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide
CID 110351049
3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one
CID 116864462
N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 141165466
tert-butyl N-[2-[[4-[1-methyl-3-(oxan-4-ylmethyl)-2-oxobenzimidazol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 169085752

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one (CID 154843667) is 6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(-c3csc(NCC4CC4)n3)ccc21.
What is the InChIKey of 6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is DOERZQYDHFEFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18-12-5-4-10(6-13(12)20-15(18)19)11-8-21-14(17-11)16-7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one?
6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 301.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 154843667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).