N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide

C17H20N4O2S — CID 813976

IUPACN-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCc1cccc(-c2nnc(NC(=O)[C@H](C)NC(=O)C3CCC3)s2)c1
InChIInChI=1S/C17H20N4O2S/c1-10-5-3-8-13(9-10)16-20-21-17(24-16)19-14(22)11(2)18-15(23)12-6-4-7-12/h3,5,8-9,11-12H,4,6-7H2,1-2H3,(H,18,23)(H,19,21,22)/t11-/m0/s1
InChIKeyRIDHMAPHQUBJCD-NSHDSACASA-N
MW344.44 g/mol
LogP2.76
Rot. Bonds5

About N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide

N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide (PubChem CID 813976) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
PubChem CID813976
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCc1cccc(-c2nnc(NC(=O)[C@H](C)NC(=O)C3CCC3)s2)c1
InChIInChI=1S/C17H20N4O2S/c1-10-5-3-8-13(9-10)16-20-21-17(24-16)19-14(22)11(2)18-15(23)12-6-4-7-12/h3,5,8-9,11-12H,4,6-7H2,1-2H3,(H,18,23)(H,19,21,22)/t11-/m0/s1
InChIKeyRIDHMAPHQUBJCD-NSHDSACASA-N
XLogP2.76
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 4117288
N-[(2R,3R)-3-methyl-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 7495569
cis-(1S,2R)-N-[(2R)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 11899671
4-chloro-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 4117286
(2R)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpropanoylamino)butanamide
CID 7493546
N-[(2R,3S)-1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 7297670
(2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 93106646
4-ethyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 3553159
(2S)-2-(cyclohexylcarbamoylamino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 7301594
N-[(2R,3R)-1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 7283343
2-acetamido-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3926710
N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]cyclopropanecarboxamide
CID 7412359

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide (CID 813976) is N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide is Cc1cccc(-c2nnc(NC(=O)[C@H](C)NC(=O)C3CCC3)s2)c1.
What is the InChIKey of N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The InChIKey is RIDHMAPHQUBJCD-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-5-3-8-13(9-10)16-20-21-17(24-16)19-14(22)11(2)18-15(23)12-6-4-7-12/h3,5,8-9,11-12H,4,6-7H2,1-2H3,(H,18,23)(H,19,21,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 813976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).