5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine

C11H12ClN3OS — CID 103366048

IUPAC5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
SMILESCOc1cccc(Cl)c1CNc1cc(N)ns1
InChIInChI=1S/C11H12ClN3OS/c1-16-9-4-2-3-8(12)7(9)6-14-11-5-10(13)15-17-11/h2-5,14H,6H2,1H3,(H2,13,15)
InChIKeyVOFQKWQVMSUKMO-UHFFFAOYSA-N
MW269.76 g/mol
LogP3.00
Rot. Bonds4

About 5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine

5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103366048) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103366048
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
SMILESCOc1cccc(Cl)c1CNc1cc(N)ns1
InChIInChI=1S/C11H12ClN3OS/c1-16-9-4-2-3-8(12)7(9)6-14-11-5-10(13)15-17-11/h2-5,14H,6H2,1H3,(H2,13,15)
InChIKeyVOFQKWQVMSUKMO-UHFFFAOYSA-N
XLogP3.00
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine 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-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103364033
5-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103366044
3-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 103291779
2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine
CID 103291752
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103292824
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103361005
2-N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 103291754
1-N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103291747
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
CID 104816030
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methylpyrimidine-2,4-diamine
CID 103293639

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine (CID 103366048) is 5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine is COc1cccc(Cl)c1CNc1cc(N)ns1.
What is the InChIKey of 5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is VOFQKWQVMSUKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-16-9-4-2-3-8(12)7(9)6-14-11-5-10(13)15-17-11/h2-5,14H,6H2,1H3,(H2,13,15).
What are the key properties of 5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine?
5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 269.76 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103366048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).