N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide

C19H24N4O3S — CID 42737473

IUPACN-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)C(C)(C)NC(=O)C3CCCC3)s2)cc1
InChIInChI=1S/C19H24N4O3S/c1-19(2,21-15(24)12-6-4-5-7-12)17(25)20-18-23-22-16(27-18)13-8-10-14(26-3)11-9-13/h8-12H,4-7H2,1-3H3,(H,21,24)(H,20,23,25)
InChIKeyQLDFMMOMYZCWQD-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.24
Rot. Bonds6

About N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 42737473) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID42737473
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)C(C)(C)NC(=O)C3CCCC3)s2)cc1
InChIInChI=1S/C19H24N4O3S/c1-19(2,21-15(24)12-6-4-5-7-12)17(25)20-18-23-22-16(27-18)13-8-10-14(26-3)11-9-13/h8-12H,4-7H2,1-3H3,(H,21,24)(H,20,23,25)
InChIKeyQLDFMMOMYZCWQD-UHFFFAOYSA-N
XLogP3.24
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]cyclobutanecarboxamide
CID 7283839
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide
CID 1451435
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 99635970
N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclobutanecarboxamide
CID 42757727
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
(3R)-1-[(4-fluorophenyl)methyl]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 100736674
2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42757770
N-benzyl-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 42736949
(2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 93046580
1-[4-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3-(4-methoxyphenyl)thiourea
CID 25197490
1-(2-bromobenzoyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 4234848

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 42737473) is N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide is COc1ccc(-c2nnc(NC(=O)C(C)(C)NC(=O)C3CCCC3)s2)cc1.
What is the InChIKey of N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is QLDFMMOMYZCWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-19(2,21-15(24)12-6-4-5-7-12)17(25)20-18-23-22-16(27-18)13-8-10-14(26-3)11-9-13/h8-12H,4-7H2,1-3H3,(H,21,24)(H,20,23,25).
What are the key properties of N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 42737473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).