N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide

C11H17N3O2S — CID 91765036

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide
SMILESNc1nc(CCCNC(=O)C2CCCO2)cs1
InChIInChI=1S/C11H17N3O2S/c12-11-14-8(7-17-11)3-1-5-13-10(15)9-4-2-6-16-9/h7,9H,1-6H2,(H2,12,14)(H,13,15)
InChIKeyZVGYTGHCDRWCMR-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.95
Rot. Bonds5

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide (PubChem CID 91765036) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide
PubChem CID91765036
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide
SMILESNc1nc(CCCNC(=O)C2CCCO2)cs1
InChIInChI=1S/C11H17N3O2S/c12-11-14-8(7-17-11)3-1-5-13-10(15)9-4-2-6-16-9/h7,9H,1-6H2,(H2,12,14)(H,13,15)
InChIKeyZVGYTGHCDRWCMR-UHFFFAOYSA-N
XLogP0.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110398155
(1R,3R,4S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide
CID 135091405
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide
CID 126432610
N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
CID 110719509
N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide
CID 110789726
(2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide
CID 103850296
(3R,5S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72935972
(1S,3S,4S)-4-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methoxycyclohexane-1-carboxamide;dihydrochloride
CID 163334584
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154565961
N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
CID 90950496
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 52985500

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide (CID 91765036) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide is Nc1nc(CCCNC(=O)C2CCCO2)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide?
The InChIKey is ZVGYTGHCDRWCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-11-14-8(7-17-11)3-1-5-13-10(15)9-4-2-6-16-9/h7,9H,1-6H2,(H2,12,14)(H,13,15).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 91765036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).