2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C16H19BrN2OS2 — CID 56557519

IUPAC2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(Sc1ccc(Br)cc1)C(=O)NCc1csc(C(C)C)n1
InChIInChI=1S/C16H19BrN2OS2/c1-10(2)16-19-13(9-21-16)8-18-15(20)11(3)22-14-6-4-12(17)5-7-14/h4-7,9-11H,8H2,1-3H3,(H,18,20)
InChIKeyQWFMURYLCXAZSC-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.83
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 56557519) has the molecular formula C16H19BrN2OS2 and a molecular weight of 399.38 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID56557519
Molecular FormulaC16H19BrN2OS2
Molecular Weight399.38 g/mol
Exact Mass398.01
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(Sc1ccc(Br)cc1)C(=O)NCc1csc(C(C)C)n1
InChIInChI=1S/C16H19BrN2OS2/c1-10(2)16-19-13(9-21-16)8-18-15(20)11(3)22-14-6-4-12(17)5-7-14/h4-7,9-11H,8H2,1-3H3,(H,18,20)
InChIKeyQWFMURYLCXAZSC-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide with MolForge

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Related Compounds

4-propan-2-ylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557906
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 56558275
methyl 3-[2-(4-bromophenyl)sulfanylpropanoylamino]propanoate
CID 47265301
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
CID 145463138
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115919637
butanedioic acid;bis(N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine)
CID 11612288

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 56557519) is 2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is CC(Sc1ccc(Br)cc1)C(=O)NCc1csc(C(C)C)n1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is QWFMURYLCXAZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS2/c1-10(2)16-19-13(9-21-16)8-18-15(20)11(3)22-14-6-4-12(17)5-7-14/h4-7,9-11H,8H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 399.38 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 56557519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).