N-(thiadiazol-4-ylmethyl)pentan-2-amine

C8H15N3S — CID 43663820

IUPACN-(thiadiazol-4-ylmethyl)pentan-2-amine
SMILESCCCC(C)NCc1csnn1
InChIInChI=1S/C8H15N3S/c1-3-4-7(2)9-5-8-6-12-11-10-8/h6-7,9H,3-5H2,1-2H3
InChIKeyVLNSSBMQXSFXRV-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.82
Rot. Bonds5

About N-(thiadiazol-4-ylmethyl)pentan-2-amine

N-(thiadiazol-4-ylmethyl)pentan-2-amine (PubChem CID 43663820) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)pentan-2-amine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)pentan-2-amine
PubChem CID43663820
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-(thiadiazol-4-ylmethyl)pentan-2-amine
SMILESCCCC(C)NCc1csnn1
InChIInChI=1S/C8H15N3S/c1-3-4-7(2)9-5-8-6-12-11-10-8/h6-7,9H,3-5H2,1-2H3
InChIKeyVLNSSBMQXSFXRV-UHFFFAOYSA-N
XLogP1.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 164641599
N,N-dimethyl-1-(thiadiazol-4-yl)methanamine
CID 85680425
2,2,2-trifluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663781
3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63226512
4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine
CID 104862604
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649
4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-1-amine
CID 115516077
5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine
CID 115516815
N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115907154
3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 115908278
trans-(1R,2R)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 126791245
[(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine
CID 130668391

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)pentan-2-amine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)pentan-2-amine (CID 43663820) is N-(thiadiazol-4-ylmethyl)pentan-2-amine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)pentan-2-amine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)pentan-2-amine is CCCC(C)NCc1csnn1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)pentan-2-amine?
The InChIKey is VLNSSBMQXSFXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-4-7(2)9-5-8-6-12-11-10-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-(thiadiazol-4-ylmethyl)pentan-2-amine?
N-(thiadiazol-4-ylmethyl)pentan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)pentan-2-amine is sourced from PubChem (CID 43663820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).