2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine

C14H19N3S — CID 65168876

IUPAC2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
SMILESCc1nc(NC(CN)Cc2ccccc2)sc1C
InChIInChI=1S/C14H19N3S/c1-10-11(2)18-14(16-10)17-13(9-15)8-12-6-4-3-5-7-12/h3-7,13H,8-9,15H2,1-2H3,(H,16,17)
InChIKeyDQUFRCFSGBTLRJ-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.74
Rot. Bonds5

About 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine

2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine (PubChem CID 65168876) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
PubChem CID65168876
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
SMILESCc1nc(NC(CN)Cc2ccccc2)sc1C
InChIInChI=1S/C14H19N3S/c1-10-11(2)18-14(16-10)17-13(9-15)8-12-6-4-3-5-7-12/h3-7,13H,8-9,15H2,1-2H3,(H,16,17)
InChIKeyDQUFRCFSGBTLRJ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine (CID 65168876) is 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine is Cc1nc(NC(CN)Cc2ccccc2)sc1C.
What is the InChIKey of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine?
The InChIKey is DQUFRCFSGBTLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-11(2)18-14(16-10)17-13(9-15)8-12-6-4-3-5-7-12/h3-7,13H,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine?
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine has a molecular weight of 261.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 65168876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).