N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C13H18N2O2S — CID 43555122

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(CNC2=NCC(C)S2)cc1OC
InChIInChI=1S/C13H18N2O2S/c1-9-7-14-13(18-9)15-8-10-4-5-11(16-2)12(6-10)17-3/h4-6,9H,7-8H2,1-3H3,(H,14,15)
InChIKeyZWFWVDSTSUGGQK-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.28
Rot. Bonds4

About N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43555122) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43555122
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(CNC2=NCC(C)S2)cc1OC
InChIInChI=1S/C13H18N2O2S/c1-9-7-14-13(18-9)15-8-10-4-5-11(16-2)12(6-10)17-3/h4-6,9H,7-8H2,1-3H3,(H,14,15)
InChIKeyZWFWVDSTSUGGQK-UHFFFAOYSA-N
XLogP2.28
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-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

N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 658531
N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79508443
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296287
N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153777
5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103364033
1-N-[(3,4-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 964328
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328
3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509293
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 75355483
N-[(3,4-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-amine
CID 4752748

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43555122) is N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(CNC2=NCC(C)S2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZWFWVDSTSUGGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-7-14-13(18-9)15-8-10-4-5-11(16-2)12(6-10)17-3/h4-6,9H,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 266.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43555122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).