[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C14H17ClN2S2 — CID 114361556

IUPAC[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(CSc2ccccc2Cl)sc1CN
InChIInChI=1S/C14H17ClN2S2/c1-9(2)14-12(7-16)19-13(17-14)8-18-11-6-4-3-5-10(11)15/h3-6,9H,7-8,16H2,1-2H3
InChIKeyWVIQCDVZDQGXHC-UHFFFAOYSA-N
MW312.89 g/mol
LogP4.67
Rot. Bonds5

About [2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361556) has the molecular formula C14H17ClN2S2 and a molecular weight of 312.89 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID114361556
Molecular FormulaC14H17ClN2S2
Molecular Weight312.89 g/mol
Exact Mass312.05
IUPAC Name[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(CSc2ccccc2Cl)sc1CN
InChIInChI=1S/C14H17ClN2S2/c1-9(2)14-12(7-16)19-13(17-14)8-18-11-6-4-3-5-10(11)15/h3-6,9H,7-8,16H2,1-2H3
InChIKeyWVIQCDVZDQGXHC-UHFFFAOYSA-N
XLogP4.67
TPSA38.91 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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361388
2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359875
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
N-[[2-[(2-chlorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 66153910
[4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82434459
[2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434317
[2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82434343
[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361600
[2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361429
2-[(2-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838467
2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
CID 130501364
2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82435380

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 114361556) is [2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CC(C)c1nc(CSc2ccccc2Cl)sc1CN.
What is the InChIKey of [2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is WVIQCDVZDQGXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S2/c1-9(2)14-12(7-16)19-13(17-14)8-18-11-6-4-3-5-10(11)15/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of [2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 312.89 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).