N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide

C16H20N2OS2 — CID 107025368

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
SMILESCC(C)(C)c1csc(NC(=O)C(S)Cc2ccccc2)n1
InChIInChI=1S/C16H20N2OS2/c1-16(2,3)13-10-21-15(17-13)18-14(19)12(20)9-11-7-5-4-6-8-11/h4-8,10,12,20H,9H2,1-3H3,(H,17,18,19)
InChIKeyHGJPRQQFSHVIGP-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.92
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107025368) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107025368
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
SMILESCC(C)(C)c1csc(NC(=O)C(S)Cc2ccccc2)n1
InChIInChI=1S/C16H20N2OS2/c1-16(2,3)13-10-21-15(17-13)18-14(19)12(20)9-11-7-5-4-6-8-11/h4-8,10,12,20H,9H2,1-3H3,(H,17,18,19)
InChIKeyHGJPRQQFSHVIGP-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.92
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

3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide
CID 107025328
2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 16551592
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 78780585
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide
CID 86902839
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea
CID 59380913
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide
CID 114145061
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 2861258
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide (CID 107025368) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide is CC(C)(C)c1csc(NC(=O)C(S)Cc2ccccc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is HGJPRQQFSHVIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-16(2,3)13-10-21-15(17-13)18-14(19)12(20)9-11-7-5-4-6-8-11/h4-8,10,12,20H,9H2,1-3H3,(H,17,18,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 320.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107025368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).