1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine

C15H18N2S — CID 116887414

IUPAC1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine
SMILESCc1ccc(C)c(-c2nc(C)c(C3(N)CC3)s2)c1
InChIInChI=1S/C15H18N2S/c1-9-4-5-10(2)12(8-9)14-17-11(3)13(18-14)15(16)6-7-15/h4-5,8H,6-7,16H2,1-3H3
InChIKeyRYMIWUNXQQQAEK-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.68
Rot. Bonds2

About 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine

1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine (PubChem CID 116887414) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine
PubChem CID116887414
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine
SMILESCc1ccc(C)c(-c2nc(C)c(C3(N)CC3)s2)c1
InChIInChI=1S/C15H18N2S/c1-9-4-5-10(2)12(8-9)14-17-11(3)13(18-14)15(16)6-7-15/h4-5,8H,6-7,16H2,1-3H3
InChIKeyRYMIWUNXQQQAEK-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine (CID 116887414) is 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine is Cc1ccc(C)c(-c2nc(C)c(C3(N)CC3)s2)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine?
The InChIKey is RYMIWUNXQQQAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-9-4-5-10(2)12(8-9)14-17-11(3)13(18-14)15(16)6-7-15/h4-5,8H,6-7,16H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine?
1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine has a molecular weight of 258.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 116887414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).