(1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine

C15H20ClN3S — CID 125141739

IUPAC(1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1ncc(CN[C@H](CN(C)C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H20ClN3S/c1-11-17-8-14(20-11)9-18-15(10-19(2)3)12-4-6-13(16)7-5-12/h4-8,15,18H,9-10H2,1-3H3/t15-/m1/s1
InChIKeySPNVAOZUVZSSGF-OAHLLOKOSA-N
MW309.87 g/mol
LogP3.50
Rot. Bonds6

About (1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine

(1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 125141739) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID125141739
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name(1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1ncc(CN[C@H](CN(C)C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H20ClN3S/c1-11-17-8-14(20-11)9-18-15(10-19(2)3)12-4-6-13(16)7-5-12/h4-8,15,18H,9-10H2,1-3H3/t15-/m1/s1
InChIKeySPNVAOZUVZSSGF-OAHLLOKOSA-N
XLogP3.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
CID 60777946
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1,1-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
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CID 61280625
1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282183
5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
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N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60776659
1-(3-fluoro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60777008
1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281399
1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (CID 125141739) is (1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is Cc1ncc(CN[C@H](CN(C)C)c2ccc(Cl)cc2)s1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is SPNVAOZUVZSSGF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-11-17-8-14(20-11)9-18-15(10-19(2)3)12-4-6-13(16)7-5-12/h4-8,15,18H,9-10H2,1-3H3/t15-/m1/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
(1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 309.87 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 125141739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).