N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine

C17H21N3S — CID 133369991

IUPACN-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(NC3CCN(C4CC4)CC3)s2)cc1
InChIInChI=1S/C17H21N3S/c1-2-4-13(5-3-1)16-12-18-17(21-16)19-14-8-10-20(11-9-14)15-6-7-15/h1-5,12,14-15H,6-11H2,(H,18,19)
InChIKeyLDJXOZSVGHURIV-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.85
Rot. Bonds4

About N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine

N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine (PubChem CID 133369991) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine
PubChem CID133369991
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(NC3CCN(C4CC4)CC3)s2)cc1
InChIInChI=1S/C17H21N3S/c1-2-4-13(5-3-1)16-12-18-17(21-16)19-14-8-10-20(11-9-14)15-6-7-15/h1-5,12,14-15H,6-11H2,(H,18,19)
InChIKeyLDJXOZSVGHURIV-UHFFFAOYSA-N
XLogP3.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine (CID 133369991) is N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine is c1ccc(-c2cnc(NC3CCN(C4CC4)CC3)s2)cc1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is LDJXOZSVGHURIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-2-4-13(5-3-1)16-12-18-17(21-16)19-14-8-10-20(11-9-14)15-6-7-15/h1-5,12,14-15H,6-11H2,(H,18,19).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine?
N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 299.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 133369991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).