N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine

C17H22N2S — CID 82103497

IUPACN-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine
SMILESCC(C)c1ccc(-c2csc(CCNC3CC3)n2)cc1
InChIInChI=1S/C17H22N2S/c1-12(2)13-3-5-14(6-4-13)16-11-20-17(19-16)9-10-18-15-7-8-15/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyWHONRKFVSDTUEC-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.23
Rot. Bonds6

About N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine

N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine (PubChem CID 82103497) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine
PubChem CID82103497
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine
SMILESCC(C)c1ccc(-c2csc(CCNC3CC3)n2)cc1
InChIInChI=1S/C17H22N2S/c1-12(2)13-3-5-14(6-4-13)16-11-20-17(19-16)9-10-18-15-7-8-15/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyWHONRKFVSDTUEC-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine (CID 82103497) is N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine is CC(C)c1ccc(-c2csc(CCNC3CC3)n2)cc1.
What is the InChIKey of N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is WHONRKFVSDTUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-12(2)13-3-5-14(6-4-13)16-11-20-17(19-16)9-10-18-15-7-8-15/h3-6,11-12,15,18H,7-10H2,1-2H3.
What are the key properties of N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine?
N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 286.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 82103497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).