5-amino-N-methanethioylthiadiazole-4-carbothioamide

C4H4N4S3 — CID 3963471

IUPAC5-amino-N-methanethioylthiadiazole-4-carbothioamide
SMILESNc1snnc1C(=S)NC=S
InChIInChI=1S/C4H4N4S3/c5-3-2(7-8-11-3)4(10)6-1-9/h1H,5H2,(H,6,9,10)
InChIKeyMARJHXIEKORNGX-UHFFFAOYSA-N
MW204.30 g/mol
LogP0.34
Rot. Bonds2

About 5-amino-N-methanethioylthiadiazole-4-carbothioamide

5-amino-N-methanethioylthiadiazole-4-carbothioamide (PubChem CID 3963471) has the molecular formula C4H4N4S3 and a molecular weight of 204.30 g/mol. Its IUPAC name is 5-amino-N-methanethioylthiadiazole-4-carbothioamide.

Molecular Properties

Compound Name5-amino-N-methanethioylthiadiazole-4-carbothioamide
PubChem CID3963471
Molecular FormulaC4H4N4S3
Molecular Weight204.30 g/mol
Exact Mass203.96
IUPAC Name5-amino-N-methanethioylthiadiazole-4-carbothioamide
SMILESNc1snnc1C(=S)NC=S
InChIInChI=1S/C4H4N4S3/c5-3-2(7-8-11-3)4(10)6-1-9/h1H,5H2,(H,6,9,10)
InChIKeyMARJHXIEKORNGX-UHFFFAOYSA-N
XLogP0.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-Amino-N-methyl-1,2,3-thiadiazole-4-carbothioamide
CID 2771457
N-methyl-5-(propan-2-ylamino)thiadiazole-4-carbothioamide
CID 1498996
N-methyl-5-(methylamino)thiadiazole-4-carbothioamide
CID 15738897
4-(Methylaminomethyl)thiadiazol-5-amine
CID 117214290
4-(Ethylaminomethyl)thiadiazol-5-amine
CID 117214397

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methanethioylthiadiazole-4-carbothioamide?
The IUPAC name of 5-amino-N-methanethioylthiadiazole-4-carbothioamide (CID 3963471) is 5-amino-N-methanethioylthiadiazole-4-carbothioamide.
What is the SMILES notation for 5-amino-N-methanethioylthiadiazole-4-carbothioamide?
The canonical SMILES for 5-amino-N-methanethioylthiadiazole-4-carbothioamide is Nc1snnc1C(=S)NC=S.
What is the InChIKey of 5-amino-N-methanethioylthiadiazole-4-carbothioamide?
The InChIKey is MARJHXIEKORNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4S3/c5-3-2(7-8-11-3)4(10)6-1-9/h1H,5H2,(H,6,9,10).
What are the key properties of 5-amino-N-methanethioylthiadiazole-4-carbothioamide?
5-amino-N-methanethioylthiadiazole-4-carbothioamide has a molecular weight of 204.30 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methanethioylthiadiazole-4-carbothioamide is sourced from PubChem (CID 3963471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).