3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine

C16H29N3S — CID 114510198

IUPAC3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1(c2nc(C(C)C)cs2)CCNCC1CC
InChIInChI=1S/C16H29N3S/c1-5-8-18-16(7-9-17-10-13(16)6-2)15-19-14(11-20-15)12(3)4/h11-13,17-18H,5-10H2,1-4H3
InChIKeyNPBFUJHMZATSQX-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.48
Rot. Bonds6

About 3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine

3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine (PubChem CID 114510198) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine
PubChem CID114510198
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1(c2nc(C(C)C)cs2)CCNCC1CC
InChIInChI=1S/C16H29N3S/c1-5-8-18-16(7-9-17-10-13(16)6-2)15-19-14(11-20-15)12(3)4/h11-13,17-18H,5-10H2,1-4H3
InChIKeyNPBFUJHMZATSQX-UHFFFAOYSA-N
XLogP3.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 65045364
4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine
CID 61333414
3,3-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 80699573
N-ethyl-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330634
3-ethyl-4-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine
CID 114510175
N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 81314182
N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774617
N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085927
2-(1-ethoxy-3-methylcyclohexyl)-4-propan-2-yl-1,3-thiazole
CID 116782722
1-ethyl-N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-amine
CID 61335805
N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64746656
1-ethyl-N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-amine
CID 61331152

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine?
The IUPAC name of 3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine (CID 114510198) is 3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine?
The canonical SMILES for 3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine is CCCNC1(c2nc(C(C)C)cs2)CCNCC1CC.
What is the InChIKey of 3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine?
The InChIKey is NPBFUJHMZATSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-8-18-16(7-9-17-10-13(16)6-2)15-19-14(11-20-15)12(3)4/h11-13,17-18H,5-10H2,1-4H3.
What are the key properties of 3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine?
3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine has a molecular weight of 295.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 114510198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).