4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide

C10H13N5OS — CID 164637939

IUPAC4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@@H](C)c1ccn(C)n1
InChIInChI=1S/C10H13N5OS/c1-6(8-4-5-15(3)13-8)11-10(16)9-7(2)12-14-17-9/h4-6H,1-3H3,(H,11,16)/t6-/m0/s1
InChIKeyLOTLXXZQGYDRCZ-LURJTMIESA-N
MW251.32 g/mol
LogP1.07
Rot. Bonds3

About 4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide

4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 164637939) has the molecular formula C10H13N5OS and a molecular weight of 251.32 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID164637939
Molecular FormulaC10H13N5OS
Molecular Weight251.32 g/mol
Exact Mass251.08
IUPAC Name4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@@H](C)c1ccn(C)n1
InChIInChI=1S/C10H13N5OS/c1-6(8-4-5-15(3)13-8)11-10(16)9-7(2)12-14-17-9/h4-6H,1-3H3,(H,11,16)/t6-/m0/s1
InChIKeyLOTLXXZQGYDRCZ-LURJTMIESA-N
XLogP1.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide
CID 51105930
4-propyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2,3-thiadiazole-5-carboxamide
CID 71808018
(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 52907366
4-methyl-N-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethyl)-1,2,3-thiadiazole-5-carboxamide
CID 71807905
N-[(1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 71808675
4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 47369409
4-methyl-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,3-thiadiazole-5-carboxamide
CID 71808007
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 75456921
1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 19264135
1-(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 19268661
N-cyclopentyl-4-methyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2,3-thiadiazole-5-carboxamide
CID 121020211
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide
CID 128968496

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide (CID 164637939) is 4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N[C@@H](C)c1ccn(C)n1.
What is the InChIKey of 4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is LOTLXXZQGYDRCZ-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6(8-4-5-15(3)13-8)11-10(16)9-7(2)12-14-17-9/h4-6H,1-3H3,(H,11,16)/t6-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide?
4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 251.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 164637939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).