5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol

C7H13N3OS — CID 107318161

IUPAC5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol
SMILESOCCCCCNc1nncs1
InChIInChI=1S/C7H13N3OS/c11-5-3-1-2-4-8-7-10-9-6-12-7/h6,11H,1-5H2,(H,8,10)
InChIKeyZVGOTCSPYROPIU-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.11
Rot. Bonds6

About 5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol

5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol (PubChem CID 107318161) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol
PubChem CID107318161
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol
SMILESOCCCCCNc1nncs1
InChIInChI=1S/C7H13N3OS/c11-5-3-1-2-4-8-7-10-9-6-12-7/h6,11H,1-5H2,(H,8,10)
InChIKeyZVGOTCSPYROPIU-UHFFFAOYSA-N
XLogP1.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine
CID 107323563
5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol
CID 106128419
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
6-[(4-ethyl-1,3-thiazol-2-yl)amino]hexan-1-ol
CID 103918134
N-(5-chloro-4-methylpentyl)-1,3,4-thiadiazol-2-amine
CID 106154566
3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol
CID 106144358
4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
CID 106842633
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
3-(1,3,4-thiadiazol-2-yl)propan-1-ol
CID 67246374
N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine
CID 115407570
4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol
CID 106350751

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol (CID 107318161) is 5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol is OCCCCCNc1nncs1.
What is the InChIKey of 5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol?
The InChIKey is ZVGOTCSPYROPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c11-5-3-1-2-4-8-7-10-9-6-12-7/h6,11H,1-5H2,(H,8,10).
What are the key properties of 5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol?
5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol has a molecular weight of 187.27 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol is sourced from PubChem (CID 107318161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).