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

C6H11N3OS — CID 93257859

IUPAC(2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol
SMILESC[C@H](O)CNCc1csnn1
InChIInChI=1S/C6H11N3OS/c1-5(10)2-7-3-6-4-11-9-8-6/h4-5,7,10H,2-3H2,1H3/t5-/m0/s1
InChIKeyABCHQMUGPKDJQX-YFKPBYRVSA-N
MW173.24 g/mol
LogP0.01
Rot. Bonds4

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

(2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol (PubChem CID 93257859) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is (2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol
PubChem CID93257859
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name(2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol
SMILESC[C@H](O)CNCc1csnn1
InChIInChI=1S/C6H11N3OS/c1-5(10)2-7-3-6-4-11-9-8-6/h4-5,7,10H,2-3H2,1H3/t5-/m0/s1
InChIKeyABCHQMUGPKDJQX-YFKPBYRVSA-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
2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663795
(1-Methoxypropan-2-yl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663830
(3-Ethoxypropyl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663937

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol?
The IUPAC name of (2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol (CID 93257859) is (2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol is C[C@H](O)CNCc1csnn1.
What is the InChIKey of (2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol?
The InChIKey is ABCHQMUGPKDJQX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-5(10)2-7-3-6-4-11-9-8-6/h4-5,7,10H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol?
(2S)-1-(thiadiazol-4-ylmethylamino)propan-2-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 (2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol is sourced from PubChem (CID 93257859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).