1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol

C9H13N5OS — CID 133323484

IUPAC1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESCc1nnc(NCC(O)c2cnn(C)c2)s1
InChIInChI=1S/C9H13N5OS/c1-6-12-13-9(16-6)10-4-8(15)7-3-11-14(2)5-7/h3,5,8,15H,4H2,1-2H3,(H,10,13)
InChIKeyCNXJNSKDRYMSBG-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.73
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol

1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol (PubChem CID 133323484) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
PubChem CID133323484
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESCc1nnc(NCC(O)c2cnn(C)c2)s1
InChIInChI=1S/C9H13N5OS/c1-6-12-13-9(16-6)10-4-8(15)7-3-11-14(2)5-7/h3,5,8,15H,4H2,1-2H3,(H,10,13)
InChIKeyCNXJNSKDRYMSBG-UHFFFAOYSA-N
XLogP0.73
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64915771
2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid
CID 115288428
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea
CID 95782860
2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115723874
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 119141956
2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323673
2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 75434721
2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115905958
1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol
CID 133323419
3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
CID 114981879
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-methylguanidine
CID 119141995
4-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]-3-(trifluoromethyl)benzonitrile
CID 133323513

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol (CID 133323484) is 1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol is Cc1nnc(NCC(O)c2cnn(C)c2)s1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The InChIKey is CNXJNSKDRYMSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-6-12-13-9(16-6)10-4-8(15)7-3-11-14(2)5-7/h3,5,8,15H,4H2,1-2H3,(H,10,13).
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol has a molecular weight of 239.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol is sourced from PubChem (CID 133323484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).