4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

C14H19N3OS — CID 82540427

IUPAC4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccccc2OC)c(C(C)NC)s1
InChIInChI=1S/C14H19N3OS/c1-9(15-2)13-12(17-14(16-3)19-13)10-7-5-6-8-11(10)18-4/h5-9,15H,1-4H3,(H,16,17)
InChIKeyHNXCVJNYCJBTQH-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.14
Rot. Bonds5

About 4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 82540427) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID82540427
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccccc2OC)c(C(C)NC)s1
InChIInChI=1S/C14H19N3OS/c1-9(15-2)13-12(17-14(16-3)19-13)10-7-5-6-8-11(10)18-4/h5-9,15H,1-4H3,(H,16,17)
InChIKeyHNXCVJNYCJBTQH-UHFFFAOYSA-N
XLogP3.14
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 82542023
5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 82542709
N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine
CID 82540131
5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine
CID 82542153
N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82540549
4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 82540359
5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82516112
1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61282666
5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine
CID 46953104
3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268941
5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811899
3-[4-[2-[(dimethylamino)methyl]phenyl]-2-(methylamino)-1,3-thiazol-5-yl]butanoic acid
CID 110447466

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 82540427) is 4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is CNc1nc(-c2ccccc2OC)c(C(C)NC)s1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is HNXCVJNYCJBTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9(15-2)13-12(17-14(16-3)19-13)10-7-5-6-8-11(10)18-4/h5-9,15H,1-4H3,(H,16,17).
What are the key properties of 4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82540427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).