2-(thiadiazol-4-ylmethylamino)propan-1-ol

C6H11N3OS — CID 43664144

IUPAC2-(thiadiazol-4-ylmethylamino)propan-1-ol
SMILESCC(CO)NCc1csnn1
InChIInChI=1S/C6H11N3OS/c1-5(3-10)7-2-6-4-11-9-8-6/h4-5,7,10H,2-3H2,1H3
InChIKeyWLGSQERXHWOVHC-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.01
Rot. Bonds4

About 2-(thiadiazol-4-ylmethylamino)propan-1-ol

2-(thiadiazol-4-ylmethylamino)propan-1-ol (PubChem CID 43664144) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-(thiadiazol-4-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-(thiadiazol-4-ylmethylamino)propan-1-ol
PubChem CID43664144
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-(thiadiazol-4-ylmethylamino)propan-1-ol
SMILESCC(CO)NCc1csnn1
InChIInChI=1S/C6H11N3OS/c1-5(3-10)7-2-6-4-11-9-8-6/h4-5,7,10H,2-3H2,1H3
InChIKeyWLGSQERXHWOVHC-UHFFFAOYSA-N
XLogP0.01
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-1-[1-(thiadiazol-4-yl)ethylamino]butan-2-ol
CID 132308671
N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828537
2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 103083073
1,1-Difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 103923463
2,2-Difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol
CID 104862620
1,1,1-Trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 115904995
N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663782
2-[Hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol
CID 155019210
Propyl[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663780
N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 43663794
2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663795
(Butan-2-yl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663796

Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-ylmethylamino)propan-1-ol?
The IUPAC name of 2-(thiadiazol-4-ylmethylamino)propan-1-ol (CID 43664144) is 2-(thiadiazol-4-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-(thiadiazol-4-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-(thiadiazol-4-ylmethylamino)propan-1-ol is CC(CO)NCc1csnn1.
What is the InChIKey of 2-(thiadiazol-4-ylmethylamino)propan-1-ol?
The InChIKey is WLGSQERXHWOVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-5(3-10)7-2-6-4-11-9-8-6/h4-5,7,10H,2-3H2,1H3.
What are the key properties of 2-(thiadiazol-4-ylmethylamino)propan-1-ol?
2-(thiadiazol-4-ylmethylamino)propan-1-ol has a molecular weight of 173.24 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-ylmethylamino)propan-1-ol is sourced from PubChem (CID 43664144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).