5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride

C5H9ClN3S- — CID 21205119

IUPAC5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride
SMILESCC(C)c1nnc(N)s1.[Cl-]
InChIInChI=1S/C5H9N3S.ClH/c1-3(2)4-7-8-5(6)9-4;/h3H,1-2H3,(H2,6,8);1H/p-1
InChIKeyYFDISXXYKFYGKD-UHFFFAOYSA-M
MW178.67 g/mol
LogP-1.75
Rot. Bonds1

About 5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride

5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride (PubChem CID 21205119) has the molecular formula C5H9ClN3S- and a molecular weight of 178.67 g/mol. Its IUPAC name is 5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride.

Molecular Properties

Compound Name5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride
PubChem CID21205119
Molecular FormulaC5H9ClN3S-
Molecular Weight178.67 g/mol
Exact Mass178.02
IUPAC Name5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride
SMILESCC(C)c1nnc(N)s1.[Cl-]
InChIInChI=1S/C5H9N3S.ClH/c1-3(2)4-7-8-5(6)9-4;/h3H,1-2H3,(H2,6,8);1H/p-1
InChIKeyYFDISXXYKFYGKD-UHFFFAOYSA-M
XLogP-1.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.67
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5-ethyl-1,3,4-thiadiazole
CID 26444
Buthidazolamine
CID 170170
5-Pentyl-1,3,4-thiadiazol-2-amine
CID 1622360
5-Propyl-1,3,4-thiadiazol-2-amine
CID 575394
5-Cyclopropyl-1,3,4-thiadiazol-2-amine
CID 717021
1,3,4-Thiadiazole, 2-amino-5-methyl-, hydrochloride
CID 3044825
5-Isopropyl-1,3,4-thiadiazol-2-amine
CID 147151
5-(2-Methylpropyl)-1,3,4-thiadiazol-2-amine
CID 234308
5-Butyl-1,3,4-thiadiazol-2-amine
CID 1622592
5-sec-Butyl-[1,3,4]thiadiazol-2-ylamine
CID 3455942
1,3,4-Thiadiazole, 2-amino-5-ethyl-, hydrochloride
CID 11971454
5-(2,2-Dimethylpropyl)-1,3,4-thiadiazol-2-amine
CID 4692541

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride?
The IUPAC name of 5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride (CID 21205119) is 5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride.
What is the SMILES notation for 5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride?
The canonical SMILES for 5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride is CC(C)c1nnc(N)s1.[Cl-].
What is the InChIKey of 5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride?
The InChIKey is YFDISXXYKFYGKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9N3S.ClH/c1-3(2)4-7-8-5(6)9-4;/h3H,1-2H3,(H2,6,8);1H/p-1.
What are the key properties of 5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride?
5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride has a molecular weight of 178.67 g/mol, XLogP of -1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3,4-thiadiazol-2-amine chloride is sourced from PubChem (CID 21205119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).