[2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine

C11H11ClN2S2 — CID 62944053

IUPAC[2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1csc(Sc2ccc(CN)c(Cl)c2)n1
InChIInChI=1S/C11H11ClN2S2/c1-7-6-15-11(14-7)16-9-3-2-8(5-13)10(12)4-9/h2-4,6H,5,13H2,1H3
InChIKeyCCJUHBBDPJLMQN-UHFFFAOYSA-N
MW270.81 g/mol
LogP3.71
Rot. Bonds3

About [2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine

[2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine (PubChem CID 62944053) has the molecular formula C11H11ClN2S2 and a molecular weight of 270.81 g/mol. Its IUPAC name is [2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
PubChem CID62944053
Molecular FormulaC11H11ClN2S2
Molecular Weight270.81 g/mol
Exact Mass270.01
IUPAC Name[2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1csc(Sc2ccc(CN)c(Cl)c2)n1
InChIInChI=1S/C11H11ClN2S2/c1-7-6-15-11(14-7)16-9-3-2-8(5-13)10(12)4-9/h2-4,6H,5,13H2,1H3
InChIKeyCCJUHBBDPJLMQN-UHFFFAOYSA-N
XLogP3.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine (CID 62944053) is [2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine is Cc1csc(Sc2ccc(CN)c(Cl)c2)n1.
What is the InChIKey of [2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine?
The InChIKey is CCJUHBBDPJLMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S2/c1-7-6-15-11(14-7)16-9-3-2-8(5-13)10(12)4-9/h2-4,6H,5,13H2,1H3.
What are the key properties of [2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine?
[2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine has a molecular weight of 270.81 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 62944053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).