3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol

C7H13N3OS — CID 84761905

IUPAC3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol
SMILESNCc1csc(NCCCO)n1
InChIInChI=1S/C7H13N3OS/c8-4-6-5-12-7(10-6)9-2-1-3-11/h5,11H,1-4,8H2,(H,9,10)
InChIKeyZZTARAVLJQKNMA-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.40
Rot. Bonds5

About 3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol

3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol (PubChem CID 84761905) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol
PubChem CID84761905
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol
SMILESNCc1csc(NCCCO)n1
InChIInChI=1S/C7H13N3OS/c8-4-6-5-12-7(10-6)9-2-1-3-11/h5,11H,1-4,8H2,(H,9,10)
InChIKeyZZTARAVLJQKNMA-UHFFFAOYSA-N
XLogP0.40
TPSA71.17 Ų
H-Bond Donors3
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 ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 84761937
4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
CID 106842633
6-[(4-ethyl-1,3-thiazol-2-yl)amino]hexan-1-ol
CID 103918134
3-[(4-bromo-1,3-thiazol-2-yl)amino]propan-1-ol
CID 79399606
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine
CID 84761941
2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol
CID 84761983
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 84761962
N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 62963177
3-[2-[(4-amino-4-oxobutyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486432
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942
4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine
CID 84761990
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N',N'-diethylbutane-1,4-diamine
CID 84761995

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol (CID 84761905) is 3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol is NCc1csc(NCCCO)n1.
What is the InChIKey of 3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol?
The InChIKey is ZZTARAVLJQKNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c8-4-6-5-12-7(10-6)9-2-1-3-11/h5,11H,1-4,8H2,(H,9,10).
What are the key properties of 3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol?
3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol has a molecular weight of 187.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol is sourced from PubChem (CID 84761905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).