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

C7H13N3OS — CID 103924393

IUPAC(2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol
SMILESCC[C@H](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/t6-/m1/s1
InChIKeySUJGMWCJMHGMBY-ZCFIWIBFSA-N
MW187.27 g/mol
LogP0.40
Rot. Bonds5

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

(2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol (PubChem CID 103924393) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is (2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol
PubChem CID103924393
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name(2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol
SMILESCC[C@H](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/t6-/m1/s1
InChIKeySUJGMWCJMHGMBY-ZCFIWIBFSA-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

Analyze (2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(thiadiazol-4-ylmethylamino)butan-1-ol
CID 115907695
3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 63842588
(2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 103924364
N-(thiadiazol-4-ylmethyl)hexan-2-amine
CID 62200952
(2S)-2-[(1-methyltriazol-4-yl)methylamino]butan-1-ol
CID 104980852
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43674087
N-ethyl-N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide
CID 103108067
3-methyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907114
N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 115906003
(2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol
CID 104868735
6-[(1-hydroxybutan-2-ylamino)methyl]pyridin-3-ol
CID 79776129
(2R)-2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 103933123

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol?
The IUPAC name of (2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol (CID 103924393) is (2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol is CC[C@H](CO)NCc1csnn1.
What is the InChIKey of (2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol?
The InChIKey is SUJGMWCJMHGMBY-ZCFIWIBFSA-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/t6-/m1/s1.
What are the key properties of (2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol?
(2R)-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 (2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 103924393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).