2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide

C17H22N4O2S — CID 95932214

IUPAC2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
SMILESCC[C@H](NC(=O)C(C)(C)NC(=O)Nc1ccccc1)c1nccs1
InChIInChI=1S/C17H22N4O2S/c1-4-13(14-18-10-11-24-14)20-15(22)17(2,3)21-16(23)19-12-8-6-5-7-9-12/h5-11,13H,4H2,1-3H3,(H,20,22)(H2,19,21,23)/t13-/m0/s1
InChIKeyWURYTECGTBLQSG-ZDUSSCGKSA-N
MW346.46 g/mol
LogP3.31
Rot. Bonds6

About 2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide

2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 95932214) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
PubChem CID95932214
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
SMILESCC[C@H](NC(=O)C(C)(C)NC(=O)Nc1ccccc1)c1nccs1
InChIInChI=1S/C17H22N4O2S/c1-4-13(14-18-10-11-24-14)20-15(22)17(2,3)21-16(23)19-12-8-6-5-7-9-12/h5-11,13H,4H2,1-3H3,(H,20,22)(H2,19,21,23)/t13-/m0/s1
InChIKeyWURYTECGTBLQSG-ZDUSSCGKSA-N
XLogP3.31
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of 2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide (CID 95932214) is 2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for 2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for 2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide is CC[C@H](NC(=O)C(C)(C)NC(=O)Nc1ccccc1)c1nccs1.
What is the InChIKey of 2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is WURYTECGTBLQSG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-13(14-18-10-11-24-14)20-15(22)17(2,3)21-16(23)19-12-8-6-5-7-9-12/h5-11,13H,4H2,1-3H3,(H,20,22)(H2,19,21,23)/t13-/m0/s1.
What are the key properties of 2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide?
2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 346.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(phenylcarbamoylamino)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 95932214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).