N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C10H19N3OS2 — CID 115715135

IUPACN-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(CCS(C)=O)Nc1nc(C(C)C)ns1
InChIInChI=1S/C10H19N3OS2/c1-7(2)9-12-10(15-13-9)11-8(3)5-6-16(4)14/h7-8H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyBSHGXZWTRMXLBH-UHFFFAOYSA-N
MW261.42 g/mol
LogP2.23
Rot. Bonds6

About N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 115715135) has the molecular formula C10H19N3OS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID115715135
Molecular FormulaC10H19N3OS2
Molecular Weight261.42 g/mol
Exact Mass261.10
IUPAC NameN-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(CCS(C)=O)Nc1nc(C(C)C)ns1
InChIInChI=1S/C10H19N3OS2/c1-7(2)9-12-10(15-13-9)11-8(3)5-6-16(4)14/h7-8H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyBSHGXZWTRMXLBH-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 115715199
N-(4-methylsulfonylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133386781
N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 130731275
N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 115681108
3-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854620
N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277218
(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79246881
N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106026374
methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65271392
3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276944
4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol
CID 65276980
N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274118

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 115715135) is N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(CCS(C)=O)Nc1nc(C(C)C)ns1.
What is the InChIKey of N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is BSHGXZWTRMXLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS2/c1-7(2)9-12-10(15-13-9)11-8(3)5-6-16(4)14/h7-8H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 261.42 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-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115715135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).