N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine

C9H15N3S — CID 64983153

IUPACN-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCCC2)s1
InChIInChI=1S/C9H15N3S/c1-7-11-12-9(13-7)10-6-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,10,12)
InChIKeyWOOKDCVOSKDIJH-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.45
Rot. Bonds3

About N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine

N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64983153) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64983153
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCCC2)s1
InChIInChI=1S/C9H15N3S/c1-7-11-12-9(13-7)10-6-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,10,12)
InChIKeyWOOKDCVOSKDIJH-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 71850467
N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647731
5-tert-butyl-N-(cyclohexylmethyl)-1,3,4-thiadiazol-2-amine
CID 172436004
N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 676548
N-cyclopentyl-5-propyl-1,3,4-thiadiazol-2-amine
CID 2305533
N-{[1-(Dimethylamino)cyclopentyl]methyl}-5-ethyl-1,3,4-thiadiazol-2-amine
CID 122561297
N-(3-methylpentyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 89630345
N-(3-methyl-2-propan-2-ylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 102914147
N-(3-cyclopentylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104923827
N-[(1-methylsulfanylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 105824244
N-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106127093
2-methyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
CID 106155502

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 64983153) is N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2CCCC2)s1.
What is the InChIKey of N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WOOKDCVOSKDIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-11-12-9(13-7)10-6-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64983153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).