2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide

C21H22N4O2S — CID 48769108

IUPAC2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)Nc2ncc(-c3ccccc3)s2)cc1
InChIInChI=1S/C21H22N4O2S/c1-14(2)23-19(26)12-15-8-10-17(11-9-15)24-20(27)25-21-22-13-18(28-21)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,23,26)(H2,22,24,25,27)
InChIKeySARYQCUQAAJRMA-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.52
Rot. Bonds6

About 2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide

2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide (PubChem CID 48769108) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide
PubChem CID48769108
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)Nc2ncc(-c3ccccc3)s2)cc1
InChIInChI=1S/C21H22N4O2S/c1-14(2)23-19(26)12-15-8-10-17(11-9-15)24-20(27)25-21-22-13-18(28-21)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,23,26)(H2,22,24,25,27)
InChIKeySARYQCUQAAJRMA-UHFFFAOYSA-N
XLogP4.52
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 155962659
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839
1-(5-phenyl-1,3-thiazol-2-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78874563
ethyl (2R,3R)-2-methyl-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]butanoate
CID 99783909
ethyl 2-methyl-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]butanoate
CID 86815396
N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 55637671
2-(2-fluorophenyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 47028162
2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 146190140
N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide
CID 78892954
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55853108
(2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119720429

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide (CID 48769108) is 2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc(NC(=O)Nc2ncc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide?
The InChIKey is SARYQCUQAAJRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-14(2)23-19(26)12-15-8-10-17(11-9-15)24-20(27)25-21-22-13-18(28-21)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,23,26)(H2,22,24,25,27).
What are the key properties of 2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide?
2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide has a molecular weight of 394.50 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 48769108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).