3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine

C7H12ClN3S — CID 130709058

IUPAC3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine
SMILESCCC(CC)Nc1nc(Cl)ns1
InChIInChI=1S/C7H12ClN3S/c1-3-5(4-2)9-7-10-6(8)11-12-7/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyMEERYWQLEUQPER-UHFFFAOYSA-N
MW205.71 g/mol
LogP2.79
Rot. Bonds4

About 3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine

3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 130709058) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is 3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID130709058
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC Name3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine
SMILESCCC(CC)Nc1nc(Cl)ns1
InChIInChI=1S/C7H12ClN3S/c1-3-5(4-2)9-7-10-6(8)11-12-7/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyMEERYWQLEUQPER-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-methyl-1,2,4-thiadiazol-5-amine
CID 55287253
3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
CID 115681041
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 65270930
3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
CID 115681040
5-N-butan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 66279643
tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate
CID 67062698
3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine
CID 114999367
N-pentan-3-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 58745672
2-N-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 66879071
3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine
CID 130616983
2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 87084099
N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277218

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine (CID 130709058) is 3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine is CCC(CC)Nc1nc(Cl)ns1.
What is the InChIKey of 3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is MEERYWQLEUQPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3S/c1-3-5(4-2)9-7-10-6(8)11-12-7/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine?
3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 205.71 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130709058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).