4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide

C14H15N3O2S — CID 156868921

IUPAC4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESNC(=O)CCC(NC=O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H15N3O2S/c15-13(19)7-6-11(16-9-18)14-17-12(8-20-14)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H2,15,19)(H,16,18)
InChIKeyUUFQYCZMUQYYGV-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.86
Rot. Bonds7

About 4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide

4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide (PubChem CID 156868921) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide
PubChem CID156868921
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESNC(=O)CCC(NC=O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H15N3O2S/c15-13(19)7-6-11(16-9-18)14-17-12(8-20-14)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H2,15,19)(H,16,18)
InChIKeyUUFQYCZMUQYYGV-UHFFFAOYSA-N
XLogP1.86
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide
CID 156868920
(4S)-4-amino-4-(4-phenyl-1,3-thiazol-2-yl)-N-tritylbutanamide
CID 156868882
8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
CID 97089517
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965041
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116967222
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624
2-(cyclopropylmethylamino)-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119778952
3-[methyl-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 122001267
[1-(4-phenyl-1,3-thiazol-2-yl)-2-[4-(sulfoamino)phenyl]ethyl]carbamic acid
CID 71225551
N-[amino-(4-phenyl-1,3-thiazol-2-yl)methyl]sulfanyl-2,3,4-trihydroxybenzamide
CID 175459001

Frequently Asked Questions

What is the IUPAC name of 4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide (CID 156868921) is 4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide is NC(=O)CCC(NC=O)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is UUFQYCZMUQYYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c15-13(19)7-6-11(16-9-18)14-17-12(8-20-14)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H2,15,19)(H,16,18).
What are the key properties of 4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide?
4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 289.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 156868921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).