4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide

C9H15N5O3S2 — CID 47197934

IUPAC4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C9H15N5O3S2/c1-7-11-12-8(18-7)10-9(15)13-3-5-14(6-4-13)19(2,16)17/h3-6H2,1-2H3,(H,10,12,15)
InChIKeyBTZCMZRYKUXADE-UHFFFAOYSA-N
MW305.39 g/mol
LogP-0.04
Rot. Bonds2

About 4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide

4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide (PubChem CID 47197934) has the molecular formula C9H15N5O3S2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
PubChem CID47197934
Molecular FormulaC9H15N5O3S2
Molecular Weight305.39 g/mol
Exact Mass305.06
IUPAC Name4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C9H15N5O3S2/c1-7-11-12-8(18-7)10-9(15)13-3-5-14(6-4-13)19(2,16)17/h3-6H2,1-2H3,(H,10,12,15)
InChIKeyBTZCMZRYKUXADE-UHFFFAOYSA-N
XLogP-0.04
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide
CID 46995562
4-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 47000207
4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267301
7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 56819733
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 45495492
3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46982148
2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 118766890
3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47263455
ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17066457
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 138042265
3-(4-methylpiperazin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 7999194
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 115635315

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide (CID 47197934) is 4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide is Cc1nnc(NC(=O)N2CCN(S(C)(=O)=O)CC2)s1.
What is the InChIKey of 4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is BTZCMZRYKUXADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S2/c1-7-11-12-8(18-7)10-9(15)13-3-5-14(6-4-13)19(2,16)17/h3-6H2,1-2H3,(H,10,12,15).
What are the key properties of 4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 305.39 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 47197934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).