N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine

C14H17ClN2S2 — CID 55238292

IUPACN-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
SMILESCc1csc(Sc2cccc(Cl)c2CNC(C)C)n1
InChIInChI=1S/C14H17ClN2S2/c1-9(2)16-7-11-12(15)5-4-6-13(11)19-14-17-10(3)8-18-14/h4-6,8-9,16H,7H2,1-3H3
InChIKeyMTSNUJKNTSSBKB-UHFFFAOYSA-N
MW312.89 g/mol
LogP4.75
Rot. Bonds5

About N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine

N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine (PubChem CID 55238292) has the molecular formula C14H17ClN2S2 and a molecular weight of 312.89 g/mol. Its IUPAC name is N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
PubChem CID55238292
Molecular FormulaC14H17ClN2S2
Molecular Weight312.89 g/mol
Exact Mass312.05
IUPAC NameN-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
SMILESCc1csc(Sc2cccc(Cl)c2CNC(C)C)n1
InChIInChI=1S/C14H17ClN2S2/c1-9(2)16-7-11-12(15)5-4-6-13(11)19-14-17-10(3)8-18-14/h4-6,8-9,16H,7H2,1-3H3
InChIKeyMTSNUJKNTSSBKB-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine (CID 55238292) is N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine is Cc1csc(Sc2cccc(Cl)c2CNC(C)C)n1.
What is the InChIKey of N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine?
The InChIKey is MTSNUJKNTSSBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S2/c1-9(2)16-7-11-12(15)5-4-6-13(11)19-14-17-10(3)8-18-14/h4-6,8-9,16H,7H2,1-3H3.
What are the key properties of N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine?
N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine has a molecular weight of 312.89 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 55238292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).