N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine

C9H13N5OS — CID 65267633

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCn1cc(Nc2nc(C)ns2)cn1
InChIInChI=1S/C9H13N5OS/c1-7-11-9(16-13-7)12-8-5-10-14(6-8)3-4-15-2/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyRHHRDUIYMYLXLX-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.43
Rot. Bonds5

About N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267633) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267633
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCn1cc(Nc2nc(C)ns2)cn1
InChIInChI=1S/C9H13N5OS/c1-7-11-9(16-13-7)12-8-5-10-14(6-8)3-4-15-2/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyRHHRDUIYMYLXLX-UHFFFAOYSA-N
XLogP1.43
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine
CID 133338800
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine
CID 103360108
N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazin-2-amine
CID 60967013
N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106567623
N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine
CID 99992582
N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine
CID 63585846
6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
CID 60968027
3,5-difluoro-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]benzonitrile
CID 81293517
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 99992806
3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
CID 25204252
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-3-nitropyridin-2-amine
CID 81139034

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267633) is N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine is COCCn1cc(Nc2nc(C)ns2)cn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is RHHRDUIYMYLXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-7-11-9(16-13-7)12-8-5-10-14(6-8)3-4-15-2/h5-6H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 239.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).