4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

C14H22N4O2S — CID 116672052

IUPAC4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC1OCCC1NC(=O)c1sc(N2CCCCC2)nc1N
InChIInChI=1S/C14H22N4O2S/c1-9-10(5-8-20-9)16-13(19)11-12(15)17-14(21-11)18-6-3-2-4-7-18/h9-10H,2-8,15H2,1H3,(H,16,19)
InChIKeyUOBWHOPXMCUFAV-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.62
Rot. Bonds3

About 4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116672052) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116672052
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC1OCCC1NC(=O)c1sc(N2CCCCC2)nc1N
InChIInChI=1S/C14H22N4O2S/c1-9-10(5-8-20-9)16-13(19)11-12(15)17-14(21-11)18-6-3-2-4-7-18/h9-10H,2-8,15H2,1H3,(H,16,19)
InChIKeyUOBWHOPXMCUFAV-UHFFFAOYSA-N
XLogP1.62
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672047
4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669998
4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664825
methyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 12856243
4-amino-2-(azepan-1-yl)-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669443
4-amino-N-(1-cyclopropylpropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116666580
4-amino-N-cyclopentyl-N-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669506
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669758
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 116667420
4-amino-N-(3-hydroxypropyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665451
4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667453

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (CID 116672052) is 4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is CC1OCCC1NC(=O)c1sc(N2CCCCC2)nc1N.
What is the InChIKey of 4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UOBWHOPXMCUFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9-10(5-8-20-9)16-13(19)11-12(15)17-14(21-11)18-6-3-2-4-7-18/h9-10H,2-8,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).