N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide

C17H26N6OS — CID 22194211

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCCn1cc(CN(C)CC(=O)Nc2nnc(C3CCCCC3)s2)cn1
InChIInChI=1S/C17H26N6OS/c1-3-23-11-13(9-18-23)10-22(2)12-15(24)19-17-21-20-16(25-17)14-7-5-4-6-8-14/h9,11,14H,3-8,10,12H2,1-2H3,(H,19,21,24)
InChIKeyQSZWRWQSGZZYQT-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.87
Rot. Bonds7

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 22194211) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID22194211
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCCn1cc(CN(C)CC(=O)Nc2nnc(C3CCCCC3)s2)cn1
InChIInChI=1S/C17H26N6OS/c1-3-23-11-13(9-18-23)10-22(2)12-15(24)19-17-21-20-16(25-17)14-7-5-4-6-8-14/h9,11,14H,3-8,10,12H2,1-2H3,(H,19,21,24)
InChIKeyQSZWRWQSGZZYQT-UHFFFAOYSA-N
XLogP2.87
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide (CID 22194211) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide is CCn1cc(CN(C)CC(=O)Nc2nnc(C3CCCCC3)s2)cn1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is QSZWRWQSGZZYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-3-23-11-13(9-18-23)10-22(2)12-15(24)19-17-21-20-16(25-17)14-7-5-4-6-8-14/h9,11,14H,3-8,10,12H2,1-2H3,(H,19,21,24).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 362.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 22194211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).