2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol

C12H18N4OS — CID 64830983

IUPAC2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1csc(CCNCc2cnn(CCO)c2)n1
InChIInChI=1S/C12H18N4OS/c1-10-9-18-12(15-10)2-3-13-6-11-7-14-16(8-11)4-5-17/h7-9,13,17H,2-6H2,1H3
InChIKeyYCBVBUSHNJOXBX-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.97
Rot. Bonds7

About 2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64830983) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID64830983
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1csc(CCNCc2cnn(CCO)c2)n1
InChIInChI=1S/C12H18N4OS/c1-10-9-18-12(15-10)2-3-13-6-11-7-14-16(8-11)4-5-17/h7-9,13,17H,2-6H2,1H3
InChIKeyYCBVBUSHNJOXBX-UHFFFAOYSA-N
XLogP0.97
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 61035312
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
1-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61035698
N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55027046
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115592117
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 64828582
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
N-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63000780
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 65246331
2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62735021

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol (CID 64830983) is 2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol is Cc1csc(CCNCc2cnn(CCO)c2)n1.
What is the InChIKey of 2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is YCBVBUSHNJOXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-10-9-18-12(15-10)2-3-13-6-11-7-14-16(8-11)4-5-17/h7-9,13,17H,2-6H2,1H3.
What are the key properties of 2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 266.37 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).