[1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol

C12H18N4OS — CID 55261349

IUPAC[1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol
SMILESCc1ncsc1CN(C)c1c(CO)c(C)nn1C
InChIInChI=1S/C12H18N4OS/c1-8-10(6-17)12(16(4)14-8)15(3)5-11-9(2)13-7-18-11/h7,17H,5-6H2,1-4H3
InChIKeyDSQKKLSLHLVOCU-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.62
Rot. Bonds4

About [1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol

[1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol (PubChem CID 55261349) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is [1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol
PubChem CID55261349
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name[1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol
SMILESCc1ncsc1CN(C)c1c(CO)c(C)nn1C
InChIInChI=1S/C12H18N4OS/c1-8-10(6-17)12(16(4)14-8)15(3)5-11-9(2)13-7-18-11/h7,17H,5-6H2,1-4H3
InChIKeyDSQKKLSLHLVOCU-UHFFFAOYSA-N
XLogP1.62
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol (CID 55261349) is [1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol is Cc1ncsc1CN(C)c1c(CO)c(C)nn1C.
What is the InChIKey of [1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol?
The InChIKey is DSQKKLSLHLVOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-10(6-17)12(16(4)14-8)15(3)5-11-9(2)13-7-18-11/h7,17H,5-6H2,1-4H3.
What are the key properties of [1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol?
[1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol has a molecular weight of 266.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol is sourced from PubChem (CID 55261349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).