N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide

C14H24N4OS — CID 124872272

IUPACN-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide
SMILESCc1nnc([C@H](C)N(C)CCCNC(=O)C2CCC2)s1
InChIInChI=1S/C14H24N4OS/c1-10(14-17-16-11(2)20-14)18(3)9-5-8-15-13(19)12-6-4-7-12/h10,12H,4-9H2,1-3H3,(H,15,19)/t10-/m0/s1
InChIKeyKISZITLBFZQDFT-JTQLQIEISA-N
MW296.44 g/mol
LogP2.15
Rot. Bonds7

About N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide

N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide (PubChem CID 124872272) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide
PubChem CID124872272
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide
SMILESCc1nnc([C@H](C)N(C)CCCNC(=O)C2CCC2)s1
InChIInChI=1S/C14H24N4OS/c1-10(14-17-16-11(2)20-14)18(3)9-5-8-15-13(19)12-6-4-7-12/h10,12H,4-9H2,1-3H3,(H,15,19)/t10-/m0/s1
InChIKeyKISZITLBFZQDFT-JTQLQIEISA-N
XLogP2.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide
CID 51080880
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride
CID 115677517
6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-2-carboxamide
CID 114140614
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
CID 60981241
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 62806950
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004
N-[3-[cyclohexyl(methyl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513414
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106047668

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide (CID 124872272) is N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide is Cc1nnc([C@H](C)N(C)CCCNC(=O)C2CCC2)s1.
What is the InChIKey of N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide?
The InChIKey is KISZITLBFZQDFT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4OS/c1-10(14-17-16-11(2)20-14)18(3)9-5-8-15-13(19)12-6-4-7-12/h10,12H,4-9H2,1-3H3,(H,15,19)/t10-/m0/s1.
What are the key properties of N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide?
N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 124872272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).