4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide

C11H17N3O2S2 — CID 752639

IUPAC4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCn1c(N)c(C(=O)NC[C@H]2CCCO2)sc1=S
InChIInChI=1S/C11H17N3O2S2/c1-2-14-9(12)8(18-11(14)17)10(15)13-6-7-4-3-5-16-7/h7H,2-6,12H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeySZEPUGTVRSZVMX-SSDOTTSWSA-N
MW287.41 g/mol
LogP1.79
Rot. Bonds4

About 4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 752639) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID752639
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCn1c(N)c(C(=O)NC[C@H]2CCCO2)sc1=S
InChIInChI=1S/C11H17N3O2S2/c1-2-14-9(12)8(18-11(14)17)10(15)13-6-7-4-3-5-16-7/h7H,2-6,12H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeySZEPUGTVRSZVMX-SSDOTTSWSA-N
XLogP1.79
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-benzyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 42585843
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 27451372
3-amino-4,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 716899
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
CID 17191153
3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997927
4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668887

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 752639) is 4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCn1c(N)c(C(=O)NC[C@H]2CCCO2)sc1=S.
What is the InChIKey of 4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is SZEPUGTVRSZVMX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-2-14-9(12)8(18-11(14)17)10(15)13-6-7-4-3-5-16-7/h7H,2-6,12H2,1H3,(H,13,15)/t7-/m1/s1.
What are the key properties of 4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 752639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).