N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

C15H23N7OS — CID 154847647

IUPACN-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCC(C)Cc1nsc(NC(=O)N2CCN(c3cnn(C)c3)CC2)n1
InChIInChI=1S/C15H23N7OS/c1-11(2)8-13-17-14(24-19-13)18-15(23)22-6-4-21(5-7-22)12-9-16-20(3)10-12/h9-11H,4-8H2,1-3H3,(H,17,18,19,23)
InChIKeyOOXXHJUGTFBSGC-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.82
Rot. Bonds4

About N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 154847647) has the molecular formula C15H23N7OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID154847647
Molecular FormulaC15H23N7OS
Molecular Weight349.46 g/mol
Exact Mass349.17
IUPAC NameN-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCC(C)Cc1nsc(NC(=O)N2CCN(c3cnn(C)c3)CC2)n1
InChIInChI=1S/C15H23N7OS/c1-11(2)8-13-17-14(24-19-13)18-15(23)22-6-4-21(5-7-22)12-9-16-20(3)10-12/h9-11H,4-8H2,1-3H3,(H,17,18,19,23)
InChIKeyOOXXHJUGTFBSGC-UHFFFAOYSA-N
XLogP1.82
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 126793104
2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 119887328
N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 84587563
N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 86795696
1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one
CID 126767368
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124568412
3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide
CID 133484820
2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 119887348
4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 118770158
N-(3-methyl-4-nitrophenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 75524371
4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 53368702
N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124608580

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (CID 154847647) is N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is CC(C)Cc1nsc(NC(=O)N2CCN(c3cnn(C)c3)CC2)n1.
What is the InChIKey of N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is OOXXHJUGTFBSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7OS/c1-11(2)8-13-17-14(24-19-13)18-15(23)22-6-4-21(5-7-22)12-9-16-20(3)10-12/h9-11H,4-8H2,1-3H3,(H,17,18,19,23).
What are the key properties of N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 154847647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).