2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol

C11H15BrN4OS — CID 133498316

IUPAC2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ncc(Cn2cc(Br)cn2)s1
InChIInChI=1S/C11H15BrN4OS/c1-2-9(7-17)15-11-13-4-10(18-11)6-16-5-8(12)3-14-16/h3-5,9,17H,2,6-7H2,1H3,(H,13,15)
InChIKeyHOWLIIHFQQIWLR-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.33
Rot. Bonds6

About 2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol

2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol (PubChem CID 133498316) has the molecular formula C11H15BrN4OS and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol
PubChem CID133498316
Molecular FormulaC11H15BrN4OS
Molecular Weight331.24 g/mol
Exact Mass330.01
IUPAC Name2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ncc(Cn2cc(Br)cn2)s1
InChIInChI=1S/C11H15BrN4OS/c1-2-9(7-17)15-11-13-4-10(18-11)6-16-5-8(12)3-14-16/h3-5,9,17H,2,6-7H2,1H3,(H,13,15)
InChIKeyHOWLIIHFQQIWLR-UHFFFAOYSA-N
XLogP2.33
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol with MolForge

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Related Compounds

5-[(4-bromopyrazol-1-yl)methyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 100693901
4-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]-4-methylpentanoic acid
CID 122059062
[1-[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]azetidin-3-yl]methanol
CID 100693533
5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole
CID 133498199
5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79026516
4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol
CID 64808824
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pentan-3-amine
CID 115705013
N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79774939
N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79775029
5-[(4-bromopyrazol-1-yl)methyl]-N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 45153888
4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
CID 130703277

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol?
The IUPAC name of 2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol (CID 133498316) is 2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol is CCC(CO)Nc1ncc(Cn2cc(Br)cn2)s1.
What is the InChIKey of 2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol?
The InChIKey is HOWLIIHFQQIWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4OS/c1-2-9(7-17)15-11-13-4-10(18-11)6-16-5-8(12)3-14-16/h3-5,9,17H,2,6-7H2,1H3,(H,13,15).
What are the key properties of 2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol?
2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol has a molecular weight of 331.24 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]butan-1-ol is sourced from PubChem (CID 133498316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).