2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol

C17H20N4OS — CID 111457694

IUPAC2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
SMILESCn1cc(C(C)(O)CNCc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C17H20N4OS/c1-17(22,14-8-19-21(2)10-14)12-18-9-15-11-23-16(20-15)13-6-4-3-5-7-13/h3-8,10-11,18,22H,9,12H2,1-2H3
InChIKeyXNTVGOYFSSVLMW-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.54
Rot. Bonds6

About 2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol

2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol (PubChem CID 111457694) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
PubChem CID111457694
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
SMILESCn1cc(C(C)(O)CNCc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C17H20N4OS/c1-17(22,14-8-19-21(2)10-14)12-18-9-15-11-23-16(20-15)13-6-4-3-5-7-13/h3-8,10-11,18,22H,9,12H2,1-2H3
InChIKeyXNTVGOYFSSVLMW-UHFFFAOYSA-N
XLogP2.54
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
1-[[3-(2-methylphenyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457630
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 111458083
1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 75422132
4-[[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methyl]-N-methylbenzamide
CID 111457597
2-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methylamino]propan-2-ol
CID 111457743
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111656352
1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111969444
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120924759
1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457624

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol (CID 111457694) is 2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol is Cn1cc(C(C)(O)CNCc2csc(-c3ccccc3)n2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The InChIKey is XNTVGOYFSSVLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-17(22,14-8-19-21(2)10-14)12-18-9-15-11-23-16(20-15)13-6-4-3-5-7-13/h3-8,10-11,18,22H,9,12H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol has a molecular weight of 328.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111457694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).