N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine

C17H24N2S — CID 139744675

IUPACN-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(NCCc2ccccc2)sc1C(C)C
InChIInChI=1S/C17H24N2S/c1-4-8-15-16(13(2)3)20-17(19-15)18-12-11-14-9-6-5-7-10-14/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,18,19)
InChIKeyFPEFRLCVMSLTMH-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.87
Rot. Bonds7

About N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine

N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine (PubChem CID 139744675) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine
PubChem CID139744675
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(NCCc2ccccc2)sc1C(C)C
InChIInChI=1S/C17H24N2S/c1-4-8-15-16(13(2)3)20-17(19-15)18-12-11-14-9-6-5-7-10-14/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,18,19)
InChIKeyFPEFRLCVMSLTMH-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine
CID 139744647
5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
CID 20558014
4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549487
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980846
6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548837
5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
CID 31535225
5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696786
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549540
N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
CID 82548504
6-hydrazinyl-N-(2-phenylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968187

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine (CID 139744675) is N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine is CCCc1nc(NCCc2ccccc2)sc1C(C)C.
What is the InChIKey of N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine?
The InChIKey is FPEFRLCVMSLTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-8-15-16(13(2)3)20-17(19-15)18-12-11-14-9-6-5-7-10-14/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine?
N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 139744675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).