3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide

C10H15N3OS2 — CID 63826251

IUPAC3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
SMILESCC(C)(C(=O)NCCc1cscn1)C(N)=S
InChIInChI=1S/C10H15N3OS2/c1-10(2,8(11)15)9(14)12-4-3-7-5-16-6-13-7/h5-6H,3-4H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyJDNRPONCZBRFAE-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.11
Rot. Bonds5

About 3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide

3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 63826251) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID63826251
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
SMILESCC(C)(C(=O)NCCc1cscn1)C(N)=S
InChIInChI=1S/C10H15N3OS2/c1-10(2,8(11)15)9(14)12-4-3-7-5-16-6-13-7/h5-6H,3-4H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyJDNRPONCZBRFAE-UHFFFAOYSA-N
XLogP1.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866
2-carbamothioyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63826075
2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 115432547
2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63825896
1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
CID 115731914
3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 106112900
2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 63824166
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide
CID 106896266
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020
6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 63826078
tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate
CID 110422808

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide (CID 63826251) is 3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide is CC(C)(C(=O)NCCc1cscn1)C(N)=S.
What is the InChIKey of 3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is JDNRPONCZBRFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-10(2,8(11)15)9(14)12-4-3-7-5-16-6-13-7/h5-6H,3-4H2,1-2H3,(H2,11,15)(H,12,14).
What are the key properties of 3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 257.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 63826251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).