N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine

C12H14N2OS — CID 10728405

IUPACN-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(C)cs2)cc1
InChIInChI=1S/C12H14N2OS/c1-9-8-16-12(14-9)13-7-10-3-5-11(15-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyHBYGEIAIPXNOHJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.07
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine

N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 10728405) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID10728405
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(C)cs2)cc1
InChIInChI=1S/C12H14N2OS/c1-9-8-16-12(14-9)13-7-10-3-5-11(15-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyHBYGEIAIPXNOHJ-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 63363217
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366043
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148773
N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 54896746
3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 141421075
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133352107
4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 60723741
methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423142
N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 61221194
4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 130965368
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 83153478

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 10728405) is N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine is COc1ccc(CNc2nc(C)cs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is HBYGEIAIPXNOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-8-16-12(14-9)13-7-10-3-5-11(15-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 234.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 10728405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).