2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine

C14H19N3S — CID 55242376

IUPAC2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
SMILESCCc1csc(NC(CN)Cc2ccccc2)n1
InChIInChI=1S/C14H19N3S/c1-2-12-10-18-14(16-12)17-13(9-15)8-11-6-4-3-5-7-11/h3-7,10,13H,2,8-9,15H2,1H3,(H,16,17)
InChIKeyOSMPYBBGKPNZOW-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.69
Rot. Bonds6

About 2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine

2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine (PubChem CID 55242376) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
PubChem CID55242376
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
SMILESCCc1csc(NC(CN)Cc2ccccc2)n1
InChIInChI=1S/C14H19N3S/c1-2-12-10-18-14(16-12)17-13(9-15)8-11-6-4-3-5-7-11/h3-7,10,13H,2,8-9,15H2,1H3,(H,16,17)
InChIKeyOSMPYBBGKPNZOW-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65029172
2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine
CID 65277594
2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine
CID 80704374
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
CID 65168876
N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 55152929
3-[(4-ethyl-1,3-thiazol-2-yl)amino]pentan-1-ol
CID 115691889
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942
N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine
CID 107648590
2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine
CID 63760552
3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 62963347
2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 62961188
N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine
CID 115691974

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine (CID 55242376) is 2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine is CCc1csc(NC(CN)Cc2ccccc2)n1.
What is the InChIKey of 2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine?
The InChIKey is OSMPYBBGKPNZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-2-12-10-18-14(16-12)17-13(9-15)8-11-6-4-3-5-7-11/h3-7,10,13H,2,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine?
2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine has a molecular weight of 261.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 55242376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).