1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine

C14H19N3S — CID 114172177

IUPAC1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCc1ccc(C(N)CNC(C)c2nccs2)cc1
InChIInChI=1S/C14H19N3S/c1-10-3-5-12(6-4-10)13(15)9-17-11(2)14-16-7-8-18-14/h3-8,11,13,17H,9,15H2,1-2H3
InChIKeyTXRRNHCSLQESBT-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine

1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 114172177) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
PubChem CID114172177
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCc1ccc(C(N)CNC(C)c2nccs2)cc1
InChIInChI=1S/C14H19N3S/c1-10-3-5-12(6-4-10)13(15)9-17-11(2)14-16-7-8-18-14/h3-8,11,13,17H,9,15H2,1-2H3
InChIKeyTXRRNHCSLQESBT-UHFFFAOYSA-N
XLogP2.80
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine
CID 106313186
N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 80709978
2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole
CID 175886345
2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 103253585
3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol
CID 115888511
N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313057
3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
CID 66174830
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
2-hydroxy-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 106171868
3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 115039140
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine (CID 114172177) is 1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine is Cc1ccc(C(N)CNC(C)c2nccs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is TXRRNHCSLQESBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-3-5-12(6-4-10)13(15)9-17-11(2)14-16-7-8-18-14/h3-8,11,13,17H,9,15H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 261.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114172177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).