N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide

C17H20N4O2S — CID 167800237

IUPACN-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)Nc2nc(CC3CC3)ns2)c1
InChIInChI=1S/C17H20N4O2S/c1-10-4-3-5-13(8-10)16(23)18-11(2)15(22)20-17-19-14(21-24-17)9-12-6-7-12/h3-5,8,11-12H,6-7,9H2,1-2H3,(H,18,23)(H,19,20,21,22)
InChIKeyVIMWYIUIZDEALM-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.56
Rot. Bonds6

About N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide

N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 167800237) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID167800237
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)Nc2nc(CC3CC3)ns2)c1
InChIInChI=1S/C17H20N4O2S/c1-10-4-3-5-13(8-10)16(23)18-11(2)15(22)20-17-19-14(21-24-17)9-12-6-7-12/h3-5,8,11-12H,6-7,9H2,1-2H3,(H,18,23)(H,19,20,21,22)
InChIKeyVIMWYIUIZDEALM-UHFFFAOYSA-N
XLogP2.56
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide with MolForge

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Related Compounds

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3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
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3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide
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N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide (CID 167800237) is N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)C(=O)Nc2nc(CC3CC3)ns2)c1.
What is the InChIKey of N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is VIMWYIUIZDEALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-4-3-5-13(8-10)16(23)18-11(2)15(22)20-17-19-14(21-24-17)9-12-6-7-12/h3-5,8,11-12H,6-7,9H2,1-2H3,(H,18,23)(H,19,20,21,22).
What are the key properties of N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 167800237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).