1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine

C14H18ClN3OS — CID 65021970

IUPAC1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)Cc2cscn2)cc1Cl
InChIInChI=1S/C14H18ClN3OS/c1-18(7-11-8-20-9-17-11)13(6-16)10-3-4-14(19-2)12(15)5-10/h3-5,8-9,13H,6-7,16H2,1-2H3
InChIKeyDUKYEHCEOMVZHX-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.94
Rot. Bonds6

About 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine

1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 65021970) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
PubChem CID65021970
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)Cc2cscn2)cc1Cl
InChIInChI=1S/C14H18ClN3OS/c1-18(7-11-8-20-9-17-11)13(6-16)10-3-4-14(19-2)12(15)5-10/h3-5,8-9,13H,6-7,16H2,1-2H3
InChIKeyDUKYEHCEOMVZHX-UHFFFAOYSA-N
XLogP2.94
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 63649441
1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 55013227
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658716
1-(4-bromothiophen-2-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 55013909
1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 65021962
2-N-[2-amino-1-(3-chloro-4-methoxyphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188224
2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine
CID 116907396
(3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 125444046
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 65096619
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 65021924
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 65021918

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine (CID 65021970) is 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine is COc1ccc(C(CN)N(C)Cc2cscn2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is DUKYEHCEOMVZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-18(7-11-8-20-9-17-11)13(6-16)10-3-4-14(19-2)12(15)5-10/h3-5,8-9,13H,6-7,16H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 311.84 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 65021970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).