N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

C14H17N3OS — CID 82342240

IUPACN-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(N)s1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)12(18)17-13-16-10(11(15)19-13)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17,18)
InChIKeyRSHCJVOPYBYXDG-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.38
Rot. Bonds2

About N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide (PubChem CID 82342240) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
PubChem CID82342240
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(N)s1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)12(18)17-13-16-10(11(15)19-13)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17,18)
InChIKeyRSHCJVOPYBYXDG-UHFFFAOYSA-N
XLogP3.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 82342260
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
N-(5-amino-4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 82342247
2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 11537451
2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226596
N-[5-amino-4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 82342305
N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 139088849
N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 14201120
N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide
CID 101126712
2-amino-N-[2-[(2-amino-2-methylpropanoyl)amino]-4-chloro-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-methylpropanamide
CID 88750802
N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 82342293
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide (CID 82342240) is N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(N)s1.
What is the InChIKey of N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The InChIKey is RSHCJVOPYBYXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(2,3)12(18)17-13-16-10(11(15)19-13)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17,18).
What are the key properties of N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide has a molecular weight of 275.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 82342240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).