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

C7H13N3OS — CID 43664074

IUPAC2-(thiadiazol-4-ylmethylamino)butan-1-ol
SMILESCCC(CO)NCc1csnn1
InChIInChI=1S/C7H13N3OS/c1-2-6(4-11)8-3-7-5-12-10-9-7/h5-6,8,11H,2-4H2,1H3
InChIKeySUJGMWCJMHGMBY-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.40
Rot. Bonds5

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

2-(thiadiazol-4-ylmethylamino)butan-1-ol (PubChem CID 43664074) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-(thiadiazol-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(thiadiazol-4-ylmethylamino)butan-1-ol
PubChem CID43664074
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-(thiadiazol-4-ylmethylamino)butan-1-ol
SMILESCCC(CO)NCc1csnn1
InChIInChI=1S/C7H13N3OS/c1-2-6(4-11)8-3-7-5-12-10-9-7/h5-6,8,11H,2-4H2,1H3
InChIKeySUJGMWCJMHGMBY-UHFFFAOYSA-N
XLogP0.40
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.40
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
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
2-[Hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol
CID 155019210
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
(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
(3-Methoxypropyl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43664030
3-(Thiadiazol-4-ylmethylamino)propan-1-ol
CID 43664065

Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-ylmethylamino)butan-1-ol?
The IUPAC name of 2-(thiadiazol-4-ylmethylamino)butan-1-ol (CID 43664074) is 2-(thiadiazol-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for 2-(thiadiazol-4-ylmethylamino)butan-1-ol?
The canonical SMILES for 2-(thiadiazol-4-ylmethylamino)butan-1-ol is CCC(CO)NCc1csnn1.
What is the InChIKey of 2-(thiadiazol-4-ylmethylamino)butan-1-ol?
The InChIKey is SUJGMWCJMHGMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-2-6(4-11)8-3-7-5-12-10-9-7/h5-6,8,11H,2-4H2,1H3.
What are the key properties of 2-(thiadiazol-4-ylmethylamino)butan-1-ol?
2-(thiadiazol-4-ylmethylamino)butan-1-ol has a molecular weight of 187.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 43664074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).