4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide

C9H14N4OS — CID 104982433

IUPAC4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C9H14N4OS/c1-6-8(15-13-12-6)9(14)11-7-3-2-4-10-5-7/h7,10H,2-5H2,1H3,(H,11,14)/t7-/m0/s1
InChIKeyAAQSGNBLRHEDPE-ZETCQYMHSA-N
MW226.30 g/mol
LogP0.33
Rot. Bonds2

About 4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide

4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide (PubChem CID 104982433) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide
PubChem CID104982433
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C9H14N4OS/c1-6-8(15-13-12-6)9(14)11-7-3-2-4-10-5-7/h7,10H,2-5H2,1H3,(H,11,14)/t7-/m0/s1
InChIKeyAAQSGNBLRHEDPE-ZETCQYMHSA-N
XLogP0.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 79685772
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
2-cyclopentyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119428648
4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 79687974
4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119426079
3-methoxy-5-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119428596
2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119424509
4-methyl-N-piperidin-3-yl-1,3-oxazole-5-carboxamide
CID 81471254
4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 62541807
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866507
4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107290

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide (CID 104982433) is 4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide?
The InChIKey is AAQSGNBLRHEDPE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-8(15-13-12-6)9(14)11-7-3-2-4-10-5-7/h7,10H,2-5H2,1H3,(H,11,14)/t7-/m0/s1.
What are the key properties of 4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide?
4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 104982433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).