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

C9H12N4S2 — CID 133323180

IUPAC5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnc(CCNc2nnc(C)s2)s1
InChIInChI=1S/C9H12N4S2/c1-6-5-11-8(14-6)3-4-10-9-13-12-7(2)15-9/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyVTVOZOXZEKYWNE-UHFFFAOYSA-N
MW240.36 g/mol
LogP2.27
Rot. Bonds4

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

5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133323180) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is 5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID133323180
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC Name5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnc(CCNc2nnc(C)s2)s1
InChIInChI=1S/C9H12N4S2/c1-6-5-11-8(14-6)3-4-10-9-13-12-7(2)15-9/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyVTVOZOXZEKYWNE-UHFFFAOYSA-N
XLogP2.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-Thiazol-5-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 86790612
5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 131946405
5-tert-butyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 136516354
1-[2-(5-Methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 71992778
1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505091
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75506139
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 86842176
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97826186
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97826187
5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 104624420
N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 106784348
N-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 106784369

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 133323180) is 5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1cnc(CCNc2nnc(C)s2)s1.
What is the InChIKey of 5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VTVOZOXZEKYWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/c1-6-5-11-8(14-6)3-4-10-9-13-12-7(2)15-9/h5H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 240.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133323180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).