3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide

C13H22N4OS — CID 119820909

IUPAC3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCC(C)(C)c1nnc(CNC(=O)C2CCC(N)C2)s1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)12-17-16-10(19-12)7-15-11(18)8-4-5-9(14)6-8/h8-9H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyQKIGYJXDLRPBBB-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.58
Rot. Bonds3

About 3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide

3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 119820909) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide
PubChem CID119820909
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCC(C)(C)c1nnc(CNC(=O)C2CCC(N)C2)s1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)12-17-16-10(19-12)7-15-11(18)8-4-5-9(14)6-8/h8-9H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyQKIGYJXDLRPBBB-UHFFFAOYSA-N
XLogP1.58
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814773
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide
CID 154739812
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 66008151
2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide
CID 119344847
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119344857
2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 83631570
3-amino-N-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66009656
4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide
CID 127463918
3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 156609240
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 119777248
3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 66010021
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide (CID 119820909) is 3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide is CC(C)(C)c1nnc(CNC(=O)C2CCC(N)C2)s1.
What is the InChIKey of 3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is QKIGYJXDLRPBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-13(2,3)12-17-16-10(19-12)7-15-11(18)8-4-5-9(14)6-8/h8-9H,4-7,14H2,1-3H3,(H,15,18).
What are the key properties of 3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119820909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).