2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol

C10H18N2OS — CID 106158680

IUPAC2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol
SMILESCc1csc(NCCCC(C)CO)n1
InChIInChI=1S/C10H18N2OS/c1-8(6-13)4-3-5-11-10-12-9(2)7-14-10/h7-8,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyLZYIHJIFWCAILU-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.27
Rot. Bonds6

About 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol

2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol (PubChem CID 106158680) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol
PubChem CID106158680
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol
SMILESCc1csc(NCCCC(C)CO)n1
InChIInChI=1S/C10H18N2OS/c1-8(6-13)4-3-5-11-10-12-9(2)7-14-10/h7-8,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyLZYIHJIFWCAILU-UHFFFAOYSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 61020818
N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine
CID 65027979
3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 81066460
3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 164648811
4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine
CID 131020952
1-(4-methylpentyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea
CID 19703595
2-[(5-hydroxy-4-methylpentyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 106162734
methyl 2-(4,5-dihydroxypentylamino)-1,3-thiazole-4-carboxylate
CID 155592482
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
4-methyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 43348242
2-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 43500206
2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid
CID 65226722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol (CID 106158680) is 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol is Cc1csc(NCCCC(C)CO)n1.
What is the InChIKey of 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol?
The InChIKey is LZYIHJIFWCAILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(6-13)4-3-5-11-10-12-9(2)7-14-10/h7-8,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol?
2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 106158680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).