2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine

C13H16N2OS — CID 62498658

IUPAC2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine
SMILESCCCOc1cccc(-c2nc(C)sc2N)c1
InChIInChI=1S/C13H16N2OS/c1-3-7-16-11-6-4-5-10(8-11)12-13(14)17-9(2)15-12/h4-6,8H,3,7,14H2,1-2H3
InChIKeyVCEXKVDVFMLBAC-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.49
Rot. Bonds4

About 2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine

2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine (PubChem CID 62498658) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine
PubChem CID62498658
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine
SMILESCCCOc1cccc(-c2nc(C)sc2N)c1
InChIInChI=1S/C13H16N2OS/c1-3-7-16-11-6-4-5-10(8-11)12-13(14)17-9(2)15-12/h4-6,8H,3,7,14H2,1-2H3
InChIKeyVCEXKVDVFMLBAC-UHFFFAOYSA-N
XLogP3.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine
CID 62496137
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
2-ethyl-4-(3-propoxyphenyl)imidazole-1,5-diamine
CID 55079214
2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 62498489
8-methyl-2-(3-propoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617454
5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296695
3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 113229441
2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 62498321
2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853812
4-(3-cyclopropylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 79980121
2-cyclopropyl-4-(3-propoxyphenyl)imidazole-1,5-diamine
CID 62498323
ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 116526130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine (CID 62498658) is 2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine is CCCOc1cccc(-c2nc(C)sc2N)c1.
What is the InChIKey of 2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine?
The InChIKey is VCEXKVDVFMLBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-7-16-11-6-4-5-10(8-11)12-13(14)17-9(2)15-12/h4-6,8H,3,7,14H2,1-2H3.
What are the key properties of 2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine?
2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine has a molecular weight of 248.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 62498658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).