N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide

C15H24N4O2S — CID 3757268

IUPACN-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
SMILESCCC(C)N(CC(=O)NC1CCCCC1)C(=O)c1csnn1
InChIInChI=1S/C15H24N4O2S/c1-3-11(2)19(15(21)13-10-22-18-17-13)9-14(20)16-12-7-5-4-6-8-12/h10-12H,3-9H2,1-2H3,(H,16,20)
InChIKeyNTEARTRPEWAPJZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.23
Rot. Bonds6

About N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide

N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 3757268) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
PubChem CID3757268
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
SMILESCCC(C)N(CC(=O)NC1CCCCC1)C(=O)c1csnn1
InChIInChI=1S/C15H24N4O2S/c1-3-11(2)19(15(21)13-10-22-18-17-13)9-14(20)16-12-7-5-4-6-8-12/h10-12H,3-9H2,1-2H3,(H,16,20)
InChIKeyNTEARTRPEWAPJZ-UHFFFAOYSA-N
XLogP2.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide (CID 3757268) is N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide is CCC(C)N(CC(=O)NC1CCCCC1)C(=O)c1csnn1.
What is the InChIKey of N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The InChIKey is NTEARTRPEWAPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-11(2)19(15(21)13-10-22-18-17-13)9-14(20)16-12-7-5-4-6-8-12/h10-12H,3-9H2,1-2H3,(H,16,20).
What are the key properties of N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3757268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).