(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol

C10H19N3OS — CID 133434609

IUPAC(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C10H19N3OS/c1-5-7(6-14)11-9-13-12-8(15-9)10(2,3)4/h7,14H,5-6H2,1-4H3,(H,11,13)/t7-/m0/s1
InChIKeyDMWNDBCOEVBZCB-ZETCQYMHSA-N
MW229.35 g/mol
LogP2.02
Rot. Bonds4

About (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol

(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol (PubChem CID 133434609) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
PubChem CID133434609
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C10H19N3OS/c1-5-7(6-14)11-9-13-12-8(15-9)10(2,3)4/h7,14H,5-6H2,1-4H3,(H,11,13)/t7-/m0/s1
InChIKeyDMWNDBCOEVBZCB-ZETCQYMHSA-N
XLogP2.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]pent-4-en-1-ol
CID 136530387
N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine
CID 130643850
(2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
CID 131154744
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
CID 1080641
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111453168
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 65270930
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
CID 2914170
1-(1-hydroxybutan-2-yl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 111107537
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120613
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705899
(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 104980601

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol (CID 133434609) is (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol is CC[C@@H](CO)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
The InChIKey is DMWNDBCOEVBZCB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-5-7(6-14)11-9-13-12-8(15-9)10(2,3)4/h7,14H,5-6H2,1-4H3,(H,11,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol is sourced from PubChem (CID 133434609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).