N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H27N3OS — CID 102968538

IUPACN-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOC1CCCN(c2nc(C3CC3)c(CNC(C)C)s2)C1
InChIInChI=1S/C16H27N3OS/c1-11(2)17-9-14-15(12-6-7-12)18-16(21-14)19-8-4-5-13(10-19)20-3/h11-13,17H,4-10H2,1-3H3
InChIKeyGRUAKKNSQVEXRG-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.13
Rot. Bonds6

About N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 102968538) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID102968538
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOC1CCCN(c2nc(C3CC3)c(CNC(C)C)s2)C1
InChIInChI=1S/C16H27N3OS/c1-11(2)17-9-14-15(12-6-7-12)18-16(21-14)19-8-4-5-13(10-19)20-3/h11-13,17H,4-10H2,1-3H3
InChIKeyGRUAKKNSQVEXRG-UHFFFAOYSA-N
XLogP3.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63918492
N-[[4-cyclopropyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63917905
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82438000
N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63916963
N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63916771
[4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 63918201
N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 103540334
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82438001
N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63917230
N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764654
2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 102968473
N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63915972

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 102968538) is N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is COC1CCCN(c2nc(C3CC3)c(CNC(C)C)s2)C1.
What is the InChIKey of N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is GRUAKKNSQVEXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-11(2)17-9-14-15(12-6-7-12)18-16(21-14)19-8-4-5-13(10-19)20-3/h11-13,17H,4-10H2,1-3H3.
What are the key properties of N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 309.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 102968538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).