N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine

C13H16N2OS — CID 62351380

IUPACN-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(OC(C)C)cc2)cs1
InChIInChI=1S/C13H16N2OS/c1-9(2)16-11-6-4-10(5-7-11)12-8-17-13(14-3)15-12/h4-9H,1-3H3,(H,14,15)
InChIKeyLMOISXVHQLBPTB-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.64
Rot. Bonds4

About N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine

N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine (PubChem CID 62351380) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine
PubChem CID62351380
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(OC(C)C)cc2)cs1
InChIInChI=1S/C13H16N2OS/c1-9(2)16-11-6-4-10(5-7-11)12-8-17-13(14-3)15-12/h4-9H,1-3H3,(H,14,15)
InChIKeyLMOISXVHQLBPTB-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzenesulfonamide
CID 28861656
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557
4-propan-2-yloxy-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4118646
2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19203500
2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 116969959
4-phenyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 27273511
4,6-dimethyl-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 19224462
3-(4-methylphenyl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3315270
2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 61338857
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62945283
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61338048

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine (CID 62351380) is N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine is CNc1nc(-c2ccc(OC(C)C)cc2)cs1.
What is the InChIKey of N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is LMOISXVHQLBPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(2)16-11-6-4-10(5-7-11)12-8-17-13(14-3)15-12/h4-9H,1-3H3,(H,14,15).
What are the key properties of N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine?
N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62351380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).