1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide

C12H20N4OS — CID 106261056

IUPAC1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2(CN)CCC2)s1
InChIInChI=1S/C12H20N4OS/c1-8(2)6-9-15-16-11(18-9)14-10(17)12(7-13)4-3-5-12/h8H,3-7,13H2,1-2H3,(H,14,16,17)
InChIKeyKTSPTBWSLUCDDI-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.80
Rot. Bonds5

About 1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide (PubChem CID 106261056) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
PubChem CID106261056
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2(CN)CCC2)s1
InChIInChI=1S/C12H20N4OS/c1-8(2)6-9-15-16-11(18-9)14-10(17)12(7-13)4-3-5-12/h8H,3-7,13H2,1-2H3,(H,14,16,17)
InChIKeyKTSPTBWSLUCDDI-UHFFFAOYSA-N
XLogP1.80
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 103826076
2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 51298157
3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 103821976
1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 110439782
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 138992387
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride
CID 119677029
3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 103580701
(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 7318372
2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide (CID 106261056) is 1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide is CC(C)Cc1nnc(NC(=O)C2(CN)CCC2)s1.
What is the InChIKey of 1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide?
The InChIKey is KTSPTBWSLUCDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8(2)6-9-15-16-11(18-9)14-10(17)12(7-13)4-3-5-12/h8H,3-7,13H2,1-2H3,(H,14,16,17).
What are the key properties of 1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 106261056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).