2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine

C17H23N3S — CID 103648279

IUPAC2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine
SMILESCC(CNCc1nc(-c2ccccc2)cs1)N(C)C1CC1
InChIInChI=1S/C17H23N3S/c1-13(20(2)15-8-9-15)10-18-11-17-19-16(12-21-17)14-6-4-3-5-7-14/h3-7,12-13,15,18H,8-11H2,1-2H3
InChIKeyULJGOWPYZFVAPX-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.38
Rot. Bonds7

About 2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine

2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine (PubChem CID 103648279) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine
PubChem CID103648279
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine
SMILESCC(CNCc1nc(-c2ccccc2)cs1)N(C)C1CC1
InChIInChI=1S/C17H23N3S/c1-13(20(2)15-8-9-15)10-18-11-17-19-16(12-21-17)14-6-4-3-5-7-14/h3-7,12-13,15,18H,8-11H2,1-2H3
InChIKeyULJGOWPYZFVAPX-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine (CID 103648279) is 2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine is CC(CNCc1nc(-c2ccccc2)cs1)N(C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine?
The InChIKey is ULJGOWPYZFVAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13(20(2)15-8-9-15)10-18-11-17-19-16(12-21-17)14-6-4-3-5-7-14/h3-7,12-13,15,18H,8-11H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine?
2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine has a molecular weight of 301.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 103648279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).