1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine

C18H24N2S — CID 79826381

IUPAC1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCNC(CCCc1nc(-c2ccccc2)cs1)C1CC1
InChIInChI=1S/C18H24N2S/c1-2-19-16(15-11-12-15)9-6-10-18-20-17(13-21-18)14-7-4-3-5-8-14/h3-5,7-8,13,15-16,19H,2,6,9-12H2,1H3
InChIKeyAMUGCBZWXCYKKZ-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.52
Rot. Bonds8

About 1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine

1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 79826381) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID79826381
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCNC(CCCc1nc(-c2ccccc2)cs1)C1CC1
InChIInChI=1S/C18H24N2S/c1-2-19-16(15-11-12-15)9-6-10-18-20-17(13-21-18)14-7-4-3-5-8-14/h3-5,7-8,13,15-16,19H,2,6,9-12H2,1H3
InChIKeyAMUGCBZWXCYKKZ-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (CID 79826381) is 1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is CCNC(CCCc1nc(-c2ccccc2)cs1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is AMUGCBZWXCYKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-2-19-16(15-11-12-15)9-6-10-18-20-17(13-21-18)14-7-4-3-5-8-14/h3-5,7-8,13,15-16,19H,2,6,9-12H2,1H3.
What are the key properties of 1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 300.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 79826381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).