N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine

C12H17N5S — CID 133386213

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccn(C3CCCC3)n2)s1
InChIInChI=1S/C12H17N5S/c1-9-14-15-12(18-9)13-8-10-6-7-17(16-10)11-4-2-3-5-11/h6-7,11H,2-5,8H2,1H3,(H,13,15)
InChIKeyDHTTYOIHUSHQEU-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.77
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 133386213) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID133386213
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccn(C3CCCC3)n2)s1
InChIInChI=1S/C12H17N5S/c1-9-14-15-12(18-9)13-8-10-6-7-17(16-10)11-4-2-3-5-11/h6-7,11H,2-5,8H2,1H3,(H,13,15)
InChIKeyDHTTYOIHUSHQEU-UHFFFAOYSA-N
XLogP2.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 127939534
1-(1-cyclopentylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64801052
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine
CID 133386163
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline
CID 64801006
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133386177
N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133385992
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668
1-(1-cyclopentylpyrazol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 103816375
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358924

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 133386213) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2ccn(C3CCCC3)n2)s1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DHTTYOIHUSHQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-9-14-15-12(18-9)13-8-10-6-7-17(16-10)11-4-2-3-5-11/h6-7,11H,2-5,8H2,1H3,(H,13,15).
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133386213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).