2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide

C12H13BrClN5OS — CID 159132273

IUPAC2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1nc(Nc2sc(C(C)(C)C(N)=O)nc2Cl)ncc1Br
InChIInChI=1S/C12H13BrClN5OS/c1-5-6(13)4-16-11(17-5)19-8-7(14)18-10(21-8)12(2,3)9(15)20/h4H,1-3H3,(H2,15,20)(H,16,17,19)
InChIKeyORFFQXOAUYWARS-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.16
Rot. Bonds4

About 2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide

2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 159132273) has the molecular formula C12H13BrClN5OS and a molecular weight of 390.69 g/mol. Its IUPAC name is 2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID159132273
Molecular FormulaC12H13BrClN5OS
Molecular Weight390.69 g/mol
Exact Mass388.97
IUPAC Name2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1nc(Nc2sc(C(C)(C)C(N)=O)nc2Cl)ncc1Br
InChIInChI=1S/C12H13BrClN5OS/c1-5-6(13)4-16-11(17-5)19-8-7(14)18-10(21-8)12(2,3)9(15)20/h4H,1-3H3,(H2,15,20)(H,16,17,19)
InChIKeyORFFQXOAUYWARS-UHFFFAOYSA-N
XLogP3.16
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[5-Bromo-4-(ethylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419510
2-[5-[[5-Bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419512
2-[4-Chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 159132274
2-Methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide
CID 160840380
N-(5-bromo-4-methylpyrimidin-2-yl)-2-cyclopropyl-4-isocyano-1,3-thiazol-5-amine
CID 159132271
(3R)-3-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-3-(trideuteriomethyl)pyrrolidin-2-one
CID 159281576
(3S)-3-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-3-(trideuteriomethyl)pyrrolidin-2-one
CID 159281577
(3R)-3-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one
CID 159281578
(3S)-3-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one
CID 159281579
(3R)-3-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-3-(trideuteriomethyl)pyrrolidin-2-one
CID 159999771
(3S)-3-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-3-(trideuteriomethyl)pyrrolidin-2-one
CID 159999772

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of 2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide (CID 159132273) is 2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide is Cc1nc(Nc2sc(C(C)(C)C(N)=O)nc2Cl)ncc1Br.
What is the InChIKey of 2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is ORFFQXOAUYWARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN5OS/c1-5-6(13)4-16-11(17-5)19-8-7(14)18-10(21-8)12(2,3)9(15)20/h4H,1-3H3,(H2,15,20)(H,16,17,19).
What are the key properties of 2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide?
2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 390.69 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-bromo-4-methylpyrimidin-2-yl)amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 159132273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).