N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide

C10H14N4OS — CID 65204861

IUPACN-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(CC#N)NC(=O)c1snnc1C(C)C
InChIInChI=1S/C10H14N4OS/c1-6(2)8-9(16-14-13-8)10(15)12-7(3)4-5-11/h6-7H,4H2,1-3H3,(H,12,15)
InChIKeyQLXHVBSTFDJDMV-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.69
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204861) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204861
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC NameN-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(CC#N)NC(=O)c1snnc1C(C)C
InChIInChI=1S/C10H14N4OS/c1-6(2)8-9(16-14-13-8)10(15)12-7(3)4-5-11/h6-7H,4H2,1-3H3,(H,12,15)
InChIKeyQLXHVBSTFDJDMV-UHFFFAOYSA-N
XLogP1.69
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204514
N-(2-cyanoethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204219
5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid
CID 82854225
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 79245995
4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65206855
N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204609
(2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
CID 104964709
N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 113496232
methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate
CID 114283611
N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204185
N-(2-amino-2-sulfanylideneethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204663
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204140

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204861) is N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(CC#N)NC(=O)c1snnc1C(C)C.
What is the InChIKey of N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is QLXHVBSTFDJDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6(2)8-9(16-14-13-8)10(15)12-7(3)4-5-11/h6-7H,4H2,1-3H3,(H,12,15).
What are the key properties of N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).