N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C14H27N3S — CID 54959150

IUPACN-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN1CCCC(NC2=NC(CC(C)C)CS2)C1
InChIInChI=1S/C14H27N3S/c1-4-17-7-5-6-12(9-17)15-14-16-13(10-18-14)8-11(2)3/h11-13H,4-10H2,1-3H3,(H,15,16)
InChIKeyKDVKWIDLBAPBBZ-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.58
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54959150) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54959150
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN1CCCC(NC2=NC(CC(C)C)CS2)C1
InChIInChI=1S/C14H27N3S/c1-4-17-7-5-6-12(9-17)15-14-16-13(10-18-14)8-11(2)3/h11-13H,4-10H2,1-3H3,(H,15,16)
InChIKeyKDVKWIDLBAPBBZ-UHFFFAOYSA-N
XLogP2.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 54959150) is N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCN1CCCC(NC2=NC(CC(C)C)CS2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KDVKWIDLBAPBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-4-17-7-5-6-12(9-17)15-14-16-13(10-18-14)8-11(2)3/h11-13H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 269.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54959150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).