N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine

C15H25N3S — CID 114510212

IUPACN-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine
SMILESCCC1CNCCC1(NC1CC1)c1nc(C)c(C)s1
InChIInChI=1S/C15H25N3S/c1-4-12-9-16-8-7-15(12,18-13-5-6-13)14-17-10(2)11(3)19-14/h12-13,16,18H,4-9H2,1-3H3
InChIKeyIAKIWOOJBYHWDR-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.73
Rot. Bonds4

About N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine

N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine (PubChem CID 114510212) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine
PubChem CID114510212
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine
SMILESCCC1CNCCC1(NC1CC1)c1nc(C)c(C)s1
InChIInChI=1S/C15H25N3S/c1-4-12-9-16-8-7-15(12,18-13-5-6-13)14-17-10(2)11(3)19-14/h12-13,16,18H,4-9H2,1-3H3
InChIKeyIAKIWOOJBYHWDR-UHFFFAOYSA-N
XLogP2.73
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine?
The IUPAC name of N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine (CID 114510212) is N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine.
What is the SMILES notation for N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine?
The canonical SMILES for N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine is CCC1CNCCC1(NC1CC1)c1nc(C)c(C)s1.
What is the InChIKey of N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine?
The InChIKey is IAKIWOOJBYHWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-4-12-9-16-8-7-15(12,18-13-5-6-13)14-17-10(2)11(3)19-14/h12-13,16,18H,4-9H2,1-3H3.
What are the key properties of N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine?
N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine has a molecular weight of 279.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine is sourced from PubChem (CID 114510212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).