3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide

C16H20N4O2S — CID 97025274

IUPAC3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide
SMILESCC[C@](C)(NC(=O)Nc1cccc(C(N)=O)c1)c1nc(C)cs1
InChIInChI=1S/C16H20N4O2S/c1-4-16(3,14-18-10(2)9-23-14)20-15(22)19-12-7-5-6-11(8-12)13(17)21/h5-9H,4H2,1-3H3,(H2,17,21)(H2,19,20,22)/t16-/m0/s1
InChIKeyQRYPODKTAOYAKP-INIZCTEOSA-N
MW332.43 g/mol
LogP3.00
Rot. Bonds5

About 3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide

3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide (PubChem CID 97025274) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide.

Molecular Properties

Compound Name3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide
PubChem CID97025274
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide
SMILESCC[C@](C)(NC(=O)Nc1cccc(C(N)=O)c1)c1nc(C)cs1
InChIInChI=1S/C16H20N4O2S/c1-4-16(3,14-18-10(2)9-23-14)20-15(22)19-12-7-5-6-11(8-12)13(17)21/h5-9H,4H2,1-3H3,(H2,17,21)(H2,19,20,22)/t16-/m0/s1
InChIKeyQRYPODKTAOYAKP-INIZCTEOSA-N
XLogP3.00
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide?
The IUPAC name of 3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide (CID 97025274) is 3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide.
What is the SMILES notation for 3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide?
The canonical SMILES for 3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide is CC[C@](C)(NC(=O)Nc1cccc(C(N)=O)c1)c1nc(C)cs1.
What is the InChIKey of 3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide?
The InChIKey is QRYPODKTAOYAKP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-4-16(3,14-18-10(2)9-23-14)20-15(22)19-12-7-5-6-11(8-12)13(17)21/h5-9H,4H2,1-3H3,(H2,17,21)(H2,19,20,22)/t16-/m0/s1.
What are the key properties of 3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide?
3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide has a molecular weight of 332.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide is sourced from PubChem (CID 97025274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).