3-(thiadiazol-4-ylmethylamino)propanamide

C6H10N4OS — CID 43664154

IUPAC3-(thiadiazol-4-ylmethylamino)propanamide
SMILESNC(=O)CCNCc1csnn1
InChIInChI=1S/C6H10N4OS/c7-6(11)1-2-8-3-5-4-12-10-9-5/h4,8H,1-3H2,(H2,7,11)
InChIKeyFDWCOPAJQGPWMH-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.50
Rot. Bonds5

About 3-(thiadiazol-4-ylmethylamino)propanamide

3-(thiadiazol-4-ylmethylamino)propanamide (PubChem CID 43664154) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(thiadiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name3-(thiadiazol-4-ylmethylamino)propanamide
PubChem CID43664154
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name3-(thiadiazol-4-ylmethylamino)propanamide
SMILESNC(=O)CCNCc1csnn1
InChIInChI=1S/C6H10N4OS/c7-6(11)1-2-8-3-5-4-12-10-9-5/h4,8H,1-3H2,(H2,7,11)
InChIKeyFDWCOPAJQGPWMH-UHFFFAOYSA-N
XLogP-0.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethylthiadiazole-4-carboxamide
CID 274291
2-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)propanamide
CID 131097805
N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663782
N-propan-2-ylthiadiazole-4-carboxamide
CID 57732611
N-butylthiadiazole-4-carboxamide
CID 57957601
N'-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 60888547
2-(Thiadiazol-4-ylmethylamino)acetamide
CID 43663775
N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 43663776
Propyl[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663780
2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide
CID 43663987
1-Pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
CID 43663995
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
CID 43664056

Frequently Asked Questions

What is the IUPAC name of 3-(thiadiazol-4-ylmethylamino)propanamide?
The IUPAC name of 3-(thiadiazol-4-ylmethylamino)propanamide (CID 43664154) is 3-(thiadiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for 3-(thiadiazol-4-ylmethylamino)propanamide?
The canonical SMILES for 3-(thiadiazol-4-ylmethylamino)propanamide is NC(=O)CCNCc1csnn1.
What is the InChIKey of 3-(thiadiazol-4-ylmethylamino)propanamide?
The InChIKey is FDWCOPAJQGPWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c7-6(11)1-2-8-3-5-4-12-10-9-5/h4,8H,1-3H2,(H2,7,11).
What are the key properties of 3-(thiadiazol-4-ylmethylamino)propanamide?
3-(thiadiazol-4-ylmethylamino)propanamide has a molecular weight of 186.24 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiadiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 43664154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).