4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide

C9H14N4OS — CID 62541807

IUPAC4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CCCN1
InChIInChI=1S/C9H14N4OS/c1-6-8(15-13-12-6)9(14)11-5-7-3-2-4-10-7/h7,10H,2-5H2,1H3,(H,11,14)
InChIKeyOCBPLDYYHUTTQX-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.33
Rot. Bonds3

About 4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide

4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 62541807) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
PubChem CID62541807
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CCCN1
InChIInChI=1S/C9H14N4OS/c1-6-8(15-13-12-6)9(14)11-5-7-3-2-4-10-7/h7,10H,2-5H2,1H3,(H,11,14)
InChIKeyOCBPLDYYHUTTQX-UHFFFAOYSA-N
XLogP0.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride
CID 119510567
N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 106599443
4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide
CID 154862352
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 106626701
2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119514702
N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 166292864
2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119510760
4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide
CID 104982433
1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 55084391
3-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 62541792
2-[(4-fluorophenyl)methyl]-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 119510084
5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119510947

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide (CID 62541807) is 4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC1CCCN1.
What is the InChIKey of 4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is OCBPLDYYHUTTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-8(15-13-12-6)9(14)11-5-7-3-2-4-10-7/h7,10H,2-5H2,1H3,(H,11,14).
What are the key properties of 4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide?
4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 62541807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).