[1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol

C10H10Br2N4OS — CID 164719332

IUPAC[1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol
SMILESOC(c1cn(CC2CC2)nn1)c1sc(Br)nc1Br
InChIInChI=1S/C10H10Br2N4OS/c11-9-8(18-10(12)13-9)7(17)6-4-16(15-14-6)3-5-1-2-5/h4-5,7,17H,1-3H2
InChIKeyZVYVKXXANMRJLT-UHFFFAOYSA-N
MW394.09 g/mol
LogP2.75
Rot. Bonds4

About [1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol

[1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol (PubChem CID 164719332) has the molecular formula C10H10Br2N4OS and a molecular weight of 394.09 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol
PubChem CID164719332
Molecular FormulaC10H10Br2N4OS
Molecular Weight394.09 g/mol
Exact Mass391.89
IUPAC Name[1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol
SMILESOC(c1cn(CC2CC2)nn1)c1sc(Br)nc1Br
InChIInChI=1S/C10H10Br2N4OS/c11-9-8(18-10(12)13-9)7(17)6-4-16(15-14-6)3-5-1-2-5/h4-5,7,17H,1-3H2
InChIKeyZVYVKXXANMRJLT-UHFFFAOYSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.09
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol
CID 130567336
[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol
CID 45170254
1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45190479
2-[1-(cyclopropylmethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59179725
1-[1-(azepan-3-ylmethyl)triazol-4-yl]propan-1-ol
CID 165456758
4-(bromomethyl)-1-(cyclopentylmethyl)triazole
CID 62400118
1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154886114
4-(2-bromoethyl)-1-(cyclobutylmethyl)triazole
CID 65461455
2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol
CID 126835797
[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
CID 164718707
(1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28739233
1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45236299

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol?
The IUPAC name of [1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol (CID 164719332) is [1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for [1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol?
The canonical SMILES for [1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol is OC(c1cn(CC2CC2)nn1)c1sc(Br)nc1Br.
What is the InChIKey of [1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol?
The InChIKey is ZVYVKXXANMRJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N4OS/c11-9-8(18-10(12)13-9)7(17)6-4-16(15-14-6)3-5-1-2-5/h4-5,7,17H,1-3H2.
What are the key properties of [1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol?
[1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol has a molecular weight of 394.09 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 164719332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).