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

C14H19N3S — CID 106313187

IUPAC1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C(N)CNCc2ncc(C)s2)cc1
InChIInChI=1S/C14H19N3S/c1-10-3-5-12(6-4-10)13(15)8-16-9-14-17-7-11(2)18-14/h3-7,13,16H,8-9,15H2,1-2H3
InChIKeyVAVZOZBRWPLGOZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.55
Rot. Bonds5

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

1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 106313187) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID106313187
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C(N)CNCc2ncc(C)s2)cc1
InChIInChI=1S/C14H19N3S/c1-10-3-5-12(6-4-10)13(15)8-16-9-14-17-7-11(2)18-14/h3-7,13,16H,8-9,15H2,1-2H3
InChIKeyVAVZOZBRWPLGOZ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190306
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
(4-(4-Methyl-1,3-thiazol-5-yl)phenyl)methanamine
CID 89689879
(1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine
CID 68574739
Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
alpha-(Phenylmethyl)-2-thiazolemethanamine
CID 369619
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
[5-(3-Phenylphenyl)-1,3-thiazol-2-yl]methanamine
CID 155557978
N-Methyl-4-(1,3-thiazol-2-yl)benzylamine
CID 18525747
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 118190180
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 118190302

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine (CID 106313187) is 1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine is Cc1ccc(C(N)CNCc2ncc(C)s2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is VAVZOZBRWPLGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-3-5-12(6-4-10)13(15)8-16-9-14-17-7-11(2)18-14/h3-7,13,16H,8-9,15H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 261.39 g/mol, XLogP of 2.55, 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'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 106313187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).