4-methyl-N-propan-2-ylthiadiazole-5-carboxamide

C7H11N3OS — CID 7576688

IUPAC4-methyl-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)C
InChIInChI=1S/C7H11N3OS/c1-4(2)8-7(11)6-5(3)9-10-12-6/h4H,1-3H3,(H,8,11)
InChIKeyTXPPFLCUNAAVAM-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.98
Rot. Bonds2

About 4-methyl-N-propan-2-ylthiadiazole-5-carboxamide

4-methyl-N-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 7576688) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylthiadiazole-5-carboxamide
PubChem CID7576688
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name4-methyl-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)C
InChIInChI=1S/C7H11N3OS/c1-4(2)8-7(11)6-5(3)9-10-12-6/h4H,1-3H3,(H,8,11)
InChIKeyTXPPFLCUNAAVAM-UHFFFAOYSA-N
XLogP0.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 2804319
N-cycloheptyl-4-methylthiadiazole-5-carboxamide
CID 4825736
N-cyclooctyl-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 20383908
4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide
CID 2740849
4-methyl-N-(2-methylbut-3-yn-2-yl)thiadiazole-5-carboxamide
CID 2804291
N-(1-ethyl-2-hydroxyethyl)(4-methyl(1,2,3-thiadiazol-5-yl))carboxamide
CID 6852055
4-methyl-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45497137
N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide
CID 91651649
4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 95209726
4-(difluoromethyl)-N-prop-2-ynylthiadiazole-5-carboxamide
CID 135153601
4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide
CID 135153691
4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 142383518

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-propan-2-ylthiadiazole-5-carboxamide (CID 7576688) is 4-methyl-N-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-propan-2-ylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(C)C.
What is the InChIKey of 4-methyl-N-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is TXPPFLCUNAAVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4(2)8-7(11)6-5(3)9-10-12-6/h4H,1-3H3,(H,8,11).
What are the key properties of 4-methyl-N-propan-2-ylthiadiazole-5-carboxamide?
4-methyl-N-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 185.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).