[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine

C7H6ClN3S2 — CID 107125215

IUPAC[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ncc(Cl)s2)s1
InChIInChI=1S/C7H6ClN3S2/c8-5-3-11-7(13-5)6-10-2-4(1-9)12-6/h2-3H,1,9H2
InChIKeyPZTIXNLZJXPGCI-UHFFFAOYSA-N
MW231.73 g/mol
LogP2.38
Rot. Bonds2

About [2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine

[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107125215) has the molecular formula C7H6ClN3S2 and a molecular weight of 231.73 g/mol. Its IUPAC name is [2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID107125215
Molecular FormulaC7H6ClN3S2
Molecular Weight231.73 g/mol
Exact Mass230.97
IUPAC Name[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ncc(Cl)s2)s1
InChIInChI=1S/C7H6ClN3S2/c8-5-3-11-7(13-5)6-10-2-4(1-9)12-6/h2-3H,1,9H2
InChIKeyPZTIXNLZJXPGCI-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine
CID 61281141
[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
CID 79779918
[2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 131025975
[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 63082297
[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 55247497
[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280356
[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]methanamine
CID 114938155
[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
CID 79712640
[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine
CID 112618307
[2-(7-chloro-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 61281947
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 61280175
[2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 130679685

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine (CID 107125215) is [2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(-c2ncc(Cl)s2)s1.
What is the InChIKey of [2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is PZTIXNLZJXPGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S2/c8-5-3-11-7(13-5)6-10-2-4(1-9)12-6/h2-3H,1,9H2.
What are the key properties of [2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine?
[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 231.73 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107125215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).