2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol

C9H15N3OS — CID 114749612

IUPAC2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol
SMILESCc1nnc(NCC2(CCO)CC2)s1
InChIInChI=1S/C9H15N3OS/c1-7-11-12-8(14-7)10-6-9(2-3-9)4-5-13/h13H,2-6H2,1H3,(H,10,12)
InChIKeySRIVQAQUQILJHG-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.42
Rot. Bonds5

About 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114749612) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID114749612
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol
SMILESCc1nnc(NCC2(CCO)CC2)s1
InChIInChI=1S/C9H15N3OS/c1-7-11-12-8(14-7)10-6-9(2-3-9)4-5-13/h13H,2-6H2,1H3,(H,10,12)
InChIKeySRIVQAQUQILJHG-UHFFFAOYSA-N
XLogP1.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

N-[[1-(chloromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 115455734
5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 114280635
2-[1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropyl]ethanol
CID 114749641
2-[1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114749702
[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 130662949
2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81160973
2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
CID 114757150
3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 64982534
5-methyl-N-[(3-methyloxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130639825
[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclopentyl]methanol
CID 65209440
(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
CID 130619298
2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol
CID 65209385

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol (CID 114749612) is 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol is Cc1nnc(NCC2(CCO)CC2)s1.
What is the InChIKey of 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is SRIVQAQUQILJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-11-12-8(14-7)10-6-9(2-3-9)4-5-13/h13H,2-6H2,1H3,(H,10,12).
What are the key properties of 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 213.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114749612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).