N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine

C8H9N3S2 — CID 65277074

IUPACN-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(CNc2ncns2)s1
InChIInChI=1S/C8H9N3S2/c1-6-2-3-7(12-6)4-9-8-10-5-11-13-8/h2-3,5H,4H2,1H3,(H,9,10,11)
InChIKeyPZENNKAOWKHILR-UHFFFAOYSA-N
MW211.32 g/mol
LogP2.52
Rot. Bonds3

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

N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65277074) has the molecular formula C8H9N3S2 and a molecular weight of 211.32 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65277074
Molecular FormulaC8H9N3S2
Molecular Weight211.32 g/mol
Exact Mass211.02
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(CNc2ncns2)s1
InChIInChI=1S/C8H9N3S2/c1-6-2-3-7(12-6)4-9-8-10-5-11-13-8/h2-3,5H,4H2,1H3,(H,9,10,11)
InChIKeyPZENNKAOWKHILR-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982707
N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine
CID 17059912
5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 63208187
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 62057964
4-bromo-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazol-2-amine
CID 79399143
N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 62057971
N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 60962238
5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80818447
N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen
CID 164869847
6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
CID 63023616
4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381996
N-[(5-methylthiophen-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62058118

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65277074) is N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine is Cc1ccc(CNc2ncns2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is PZENNKAOWKHILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-6-2-3-7(12-6)4-9-8-10-5-11-13-8/h2-3,5H,4H2,1H3,(H,9,10,11).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 211.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).