(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C11H13BrN4OS — CID 51391219

IUPAC(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@H](C)Cn2cc(Br)cn2)n1
InChIInChI=1S/C11H13BrN4OS/c1-7(4-16-5-9(12)3-13-16)10(17)15-11-14-8(2)6-18-11/h3,5-7H,4H2,1-2H3,(H,14,15,17)/t7-/m1/s1
InChIKeyRDINGAJTWNGDQK-SSDOTTSWSA-N
MW329.22 g/mol
LogP2.69
Rot. Bonds4

About (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 51391219) has the molecular formula C11H13BrN4OS and a molecular weight of 329.22 g/mol. Its IUPAC name is (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID51391219
Molecular FormulaC11H13BrN4OS
Molecular Weight329.22 g/mol
Exact Mass328.00
IUPAC Name(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@H](C)Cn2cc(Br)cn2)n1
InChIInChI=1S/C11H13BrN4OS/c1-7(4-16-5-9(12)3-13-16)10(17)15-11-14-8(2)6-18-11/h3,5-7H,4H2,1-2H3,(H,14,15,17)/t7-/m1/s1
InChIKeyRDINGAJTWNGDQK-SSDOTTSWSA-N
XLogP2.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4776078
3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 19566261
(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 35529843
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 40648018
ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 19570396
3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide
CID 19564662
3-(4-bromopyrazol-1-yl)-2-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19564680
propyl 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 19564622
3-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4-chlorobenzoic acid
CID 4867417
(2S)-1-(azepan-1-yl)-3-(4-bromopyrazol-1-yl)-2-methylpropan-1-one
CID 35527714
(2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7346463
2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2970521

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 51391219) is (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)[C@H](C)Cn2cc(Br)cn2)n1.
What is the InChIKey of (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is RDINGAJTWNGDQK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13BrN4OS/c1-7(4-16-5-9(12)3-13-16)10(17)15-11-14-8(2)6-18-11/h3,5-7H,4H2,1-2H3,(H,14,15,17)/t7-/m1/s1.
What are the key properties of (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 329.22 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 51391219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).