2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide

C14H17N3OS — CID 122693201

IUPAC2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1ncc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)17-13-15-9-11(19-13)12(18)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,17)(H,16,18)
InChIKeyAZDKHWHXIQFPEN-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.61
Rot. Bonds3

About 2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide

2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 122693201) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID122693201
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1ncc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)17-13-15-9-11(19-13)12(18)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,17)(H,16,18)
InChIKeyAZDKHWHXIQFPEN-UHFFFAOYSA-N
XLogP3.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-(pyrazin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117093775
4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667442
2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
CID 123152203
2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 88917164
2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 53257804
5-(tert-butylamino)-N-phenylpyridine-3-carboxamide
CID 109239388
2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 117087880
N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide
CID 117085966
5-(phenylcarbamoyl)thiophene-2-carboxylic acid
CID 43414375
2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75436787
2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid
CID 120528728
N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257806

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide (CID 122693201) is 2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide is CC(C)(C)Nc1ncc(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is AZDKHWHXIQFPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(2,3)17-13-15-9-11(19-13)12(18)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide?
2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122693201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).