4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide

C13H19N3O2S — CID 115439495

IUPAC4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2nc(C3CC3)cs2)CCOCC1
InChIInChI=1S/C13H19N3O2S/c14-8-13(3-5-18-6-4-13)11(17)16-12-15-10(7-19-12)9-1-2-9/h7,9H,1-6,8,14H2,(H,15,16,17)
InChIKeyHUMNLVJJRQVTOE-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.71
Rot. Bonds4

About 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide (PubChem CID 115439495) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide
PubChem CID115439495
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2nc(C3CC3)cs2)CCOCC1
InChIInChI=1S/C13H19N3O2S/c14-8-13(3-5-18-6-4-13)11(17)16-12-15-10(7-19-12)9-1-2-9/h7,9H,1-6,8,14H2,(H,15,16,17)
InChIKeyHUMNLVJJRQVTOE-UHFFFAOYSA-N
XLogP1.71
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
CID 115448467
4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120916927
1-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 54959029
4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
CID 120917994
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide
CID 63129094
4-(aminomethyl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 120918759
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylcyclopentane-1-carboxamide
CID 82767511
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623224
methyl 4-[2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate;hydrochloride
CID 120921065
1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913567
N-(4-cyclopropyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47200518
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxane-4-carboxamide
CID 115439503

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide (CID 115439495) is 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide is NCC1(C(=O)Nc2nc(C3CC3)cs2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The InChIKey is HUMNLVJJRQVTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c14-8-13(3-5-18-6-4-13)11(17)16-12-15-10(7-19-12)9-1-2-9/h7,9H,1-6,8,14H2,(H,15,16,17).
What are the key properties of 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 115439495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).