5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C18H19N3OS — CID 82186104

IUPAC5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCC(C)Oc1ccccc1Cc1sc(N)nc1-c1cccnc1
InChIInChI=1S/C18H19N3OS/c1-12(2)22-15-8-4-3-6-13(15)10-16-17(21-18(19)23-16)14-7-5-9-20-11-14/h3-9,11-12H,10H2,1-2H3,(H2,19,21)
InChIKeyPWXMYXMQWVOTRM-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.17
Rot. Bonds5

About 5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 82186104) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID82186104
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCC(C)Oc1ccccc1Cc1sc(N)nc1-c1cccnc1
InChIInChI=1S/C18H19N3OS/c1-12(2)22-15-8-4-3-6-13(15)10-16-17(21-18(19)23-16)14-7-5-9-20-11-14/h3-9,11-12H,10H2,1-2H3,(H2,19,21)
InChIKeyPWXMYXMQWVOTRM-UHFFFAOYSA-N
XLogP4.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine 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

5-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 82106824
5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 82186056
2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069331
5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065204
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171022
4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine
CID 62066653
3-(4-propan-2-yloxyphenyl)pyridine
CID 91807940
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 82106454
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
CID 93216550

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 82186104) is 5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is CC(C)Oc1ccccc1Cc1sc(N)nc1-c1cccnc1.
What is the InChIKey of 5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is PWXMYXMQWVOTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12(2)22-15-8-4-3-6-13(15)10-16-17(21-18(19)23-16)14-7-5-9-20-11-14/h3-9,11-12H,10H2,1-2H3,(H2,19,21).
What are the key properties of 5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 325.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82186104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).