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

C18H26N2S — CID 139744647

IUPACN-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(NCC(C)c2ccccc2)sc1C(C)C
InChIInChI=1S/C18H26N2S/c1-5-9-16-17(13(2)3)21-18(20-16)19-12-14(4)15-10-7-6-8-11-15/h6-8,10-11,13-14H,5,9,12H2,1-4H3,(H,19,20)
InChIKeyZEEYOJYVWDMJKA-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.43
Rot. Bonds7

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

N-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine (PubChem CID 139744647) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine
PubChem CID139744647
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(NCC(C)c2ccccc2)sc1C(C)C
InChIInChI=1S/C18H26N2S/c1-5-9-16-17(13(2)3)21-18(20-16)19-12-14(4)15-10-7-6-8-11-15/h6-8,10-11,13-14H,5,9,12H2,1-4H3,(H,19,20)
InChIKeyZEEYOJYVWDMJKA-UHFFFAOYSA-N
XLogP5.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine
CID 139744675
4-ethyl-5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine
CID 139744839
N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine
CID 63470536
5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine
CID 83291327
2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 104592490
6-N-(2-phenylpropyl)-2-N-propylpyridine-2,6-diamine
CID 104592500
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591
5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204477
4-N-ethyl-6-methoxy-2-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
CID 104592515
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine (CID 139744647) is N-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine is CCCc1nc(NCC(C)c2ccccc2)sc1C(C)C.
What is the InChIKey of N-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine?
The InChIKey is ZEEYOJYVWDMJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-5-9-16-17(13(2)3)21-18(20-16)19-12-14(4)15-10-7-6-8-11-15/h6-8,10-11,13-14H,5,9,12H2,1-4H3,(H,19,20).
What are the key properties of N-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine?
N-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine has a molecular weight of 302.49 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-5-propan-2-yl-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 139744647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).