N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide

C9H14N2OS2 — CID 107025335

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
SMILESCC(C)c1csc(NC(=O)CCS)n1
InChIInChI=1S/C9H14N2OS2/c1-6(2)7-5-14-9(10-7)11-8(12)3-4-13/h5-6,13H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyQKVHWSNXSWEXQI-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.52
Rot. Bonds4

About N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide

N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide (PubChem CID 107025335) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
PubChem CID107025335
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
SMILESCC(C)c1csc(NC(=O)CCS)n1
InChIInChI=1S/C9H14N2OS2/c1-6(2)7-5-14-9(10-7)11-8(12)3-4-13/h5-6,13H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyQKVHWSNXSWEXQI-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 61482708
N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide
CID 55555526
4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 54958630
2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 47122981
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
2-(cyclopentylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 54958579
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide
CID 114753182
(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 79013002
5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
CID 61481097
2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 110439791
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54958427

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide (CID 107025335) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide is CC(C)c1csc(NC(=O)CCS)n1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide?
The InChIKey is QKVHWSNXSWEXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-6(2)7-5-14-9(10-7)11-8(12)3-4-13/h5-6,13H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide has a molecular weight of 230.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 107025335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).