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

C15H21N3S — CID 106313186

IUPAC1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine
SMILESCc1ccc(C(N)CNCC(C)c2nccs2)cc1
InChIInChI=1S/C15H21N3S/c1-11-3-5-13(6-4-11)14(16)10-17-9-12(2)15-18-7-8-19-15/h3-8,12,14,17H,9-10,16H2,1-2H3
InChIKeyOPSJXIAXOUPFBV-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.84
Rot. Bonds6

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

1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine (PubChem CID 106313186) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine
PubChem CID106313186
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine
SMILESCc1ccc(C(N)CNCC(C)c2nccs2)cc1
InChIInChI=1S/C15H21N3S/c1-11-3-5-13(6-4-11)14(16)10-17-9-12(2)15-18-7-8-19-15/h3-8,12,14,17H,9-10,16H2,1-2H3
InChIKeyOPSJXIAXOUPFBV-UHFFFAOYSA-N
XLogP2.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-(1,3-Thiazol-2-yl)phenyl)methanamine
CID 21066395
N1,N2-Bis[[4-(2-thiazolyl)phenyl]methyl]-1,2-ethanediamine
CID 91885440
2-Benzyl-1,3-thiazole
CID 21183829
[3-(1,3-Thiazol-2-YL)phenyl]methylamine
CID 18525727
3-Thiazol-2-yl-3,4-dihydro-isoquinolin-1-ylamine
CID 18785857
N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-(1,3-thiazol-2-ylmethyl)butane-1,4-diamine
CID 135314474
(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
2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide
CID 14978593
N-Methyl-4-(1,3-thiazol-2-yl)benzylamine
CID 18525747
2-amino-N-benzyl-2-(1,3-thiazol-2-yl)acetamide
CID 60168007

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine (CID 106313186) is 1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine is Cc1ccc(C(N)CNCC(C)c2nccs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine?
The InChIKey is OPSJXIAXOUPFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-3-5-13(6-4-11)14(16)10-17-9-12(2)15-18-7-8-19-15/h3-8,12,14,17H,9-10,16H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine?
1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine has a molecular weight of 275.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 106313186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).