5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine

C8H8ClN3S2 — CID 130670306

IUPAC5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1csc(CNc2ncc(Cl)s2)n1
InChIInChI=1S/C8H8ClN3S2/c1-5-4-13-7(12-5)3-11-8-10-2-6(9)14-8/h2,4H,3H2,1H3,(H,10,11)
InChIKeyJQSWOWSJPBEUQG-UHFFFAOYSA-N
MW245.76 g/mol
LogP3.17
Rot. Bonds3

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

5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 130670306) has the molecular formula C8H8ClN3S2 and a molecular weight of 245.76 g/mol. Its IUPAC name is 5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID130670306
Molecular FormulaC8H8ClN3S2
Molecular Weight245.76 g/mol
Exact Mass244.98
IUPAC Name5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1csc(CNc2ncc(Cl)s2)n1
InChIInChI=1S/C8H8ClN3S2/c1-5-4-13-7(12-5)3-11-8-10-2-6(9)14-8/h2,4H,3H2,1H3,(H,10,11)
InChIKeyJQSWOWSJPBEUQG-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 60706662
5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine
CID 130670323
5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 84597654
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62963186
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
CID 114475451
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
2,5-dichloro-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115755781
5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688093
2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 60706687
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60706733
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
CID 130686343

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 130670306) is 5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine is Cc1csc(CNc2ncc(Cl)s2)n1.
What is the InChIKey of 5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is JQSWOWSJPBEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S2/c1-5-4-13-7(12-5)3-11-8-10-2-6(9)14-8/h2,4H,3H2,1H3,(H,10,11).
What are the key properties of 5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine?
5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 245.76 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130670306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).