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

C16H20N2S — CID 103700231

IUPAC2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)(NCc1nc(-c2ccccc2)cs1)C1CC1
InChIInChI=1S/C16H20N2S/c1-16(2,13-8-9-13)17-10-15-18-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13,17H,8-10H2,1-2H3
InChIKeyKKUMEISJKXZEOS-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.09
Rot. Bonds5

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

2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 103700231) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID103700231
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)(NCc1nc(-c2ccccc2)cs1)C1CC1
InChIInChI=1S/C16H20N2S/c1-16(2,13-8-9-13)17-10-15-18-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13,17H,8-10H2,1-2H3
InChIKeyKKUMEISJKXZEOS-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900718
2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 79832136
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
CID 103700143
3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587891
2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 62901090
2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine
CID 103648279
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 113224729
2,2-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propanenitrile
CID 104587238

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 103700231) is 2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine is CC(C)(NCc1nc(-c2ccccc2)cs1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is KKUMEISJKXZEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-16(2,13-8-9-13)17-10-15-18-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13,17H,8-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 272.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 103700231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).