N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine

C16H20N2S — CID 64715821

IUPACN-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(C2CC2)sc1-c1ccccc1
InChIInChI=1S/C16H20N2S/c1-11(2)17-10-14-15(12-6-4-3-5-7-12)19-16(18-14)13-8-9-13/h3-7,11,13,17H,8-10H2,1-2H3
InChIKeyXGAFAOXMWDHFSJ-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.19
Rot. Bonds5

About N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine

N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine (PubChem CID 64715821) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine
PubChem CID64715821
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(C2CC2)sc1-c1ccccc1
InChIInChI=1S/C16H20N2S/c1-11(2)17-10-14-15(12-6-4-3-5-7-12)19-16(18-14)13-8-9-13/h3-7,11,13,17H,8-10H2,1-2H3
InChIKeyXGAFAOXMWDHFSJ-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 64715192
N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 64715193
N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 64714989
N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 106815408
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 154194483
N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine
CID 114748967
N-[[2-(4-ethylcyclohexyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365494
N-[[5-phenyl-2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 65128657
4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82432281
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 81173870
N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine
CID 82452414
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine (CID 64715821) is N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine is CC(C)NCc1nc(C2CC2)sc1-c1ccccc1.
What is the InChIKey of N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The InChIKey is XGAFAOXMWDHFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11(2)17-10-14-15(12-6-4-3-5-7-12)19-16(18-14)13-8-9-13/h3-7,11,13,17H,8-10H2,1-2H3.
What are the key properties of N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine has a molecular weight of 272.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 64715821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).