N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C22H17N5O2S — CID 170408300

IUPACN-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCc1cc(O)cc2nc(-c3ccc(CNC(=O)c4cnc5nccn5c4)cc3)sc12
InChIInChI=1S/C22H17N5O2S/c1-13-8-17(28)9-18-19(13)30-21(26-18)15-4-2-14(3-5-15)10-24-20(29)16-11-25-22-23-6-7-27(22)12-16/h2-9,11-12,28H,10H2,1H3,(H,24,29)
InChIKeyZCMDCQIZDPFFLW-UHFFFAOYSA-N
MW415.48 g/mol
LogP3.95
Rot. Bonds4

About N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 170408300) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID170408300
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC NameN-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCc1cc(O)cc2nc(-c3ccc(CNC(=O)c4cnc5nccn5c4)cc3)sc12
InChIInChI=1S/C22H17N5O2S/c1-13-8-17(28)9-18-19(13)30-21(26-18)15-4-2-14(3-5-15)10-24-20(29)16-11-25-22-23-6-7-27(22)12-16/h2-9,11-12,28H,10H2,1H3,(H,24,29)
InChIKeyZCMDCQIZDPFFLW-UHFFFAOYSA-N
XLogP3.95
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 90012908
N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71818455
N-[[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 170600608
N-[[4-(4-fluoro-3-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613617
N-[(4-naphthalen-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 56943499
N-[[4-[3-(2-methylpropylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66610648
N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 56943343
N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66609844
N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613859
N-[[4-(4-chloro-2-ethoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66609027
N-[[4-[4-fluoro-3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66610455
N-[[4-(4-ethoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 90013144

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 170408300) is N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is Cc1cc(O)cc2nc(-c3ccc(CNC(=O)c4cnc5nccn5c4)cc3)sc12.
What is the InChIKey of N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is ZCMDCQIZDPFFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c1-13-8-17(28)9-18-19(13)30-21(26-18)15-4-2-14(3-5-15)10-24-20(29)16-11-25-22-23-6-7-27(22)12-16/h2-9,11-12,28H,10H2,1H3,(H,24,29).
What are the key properties of N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-hydroxy-7-methyl-1,3-benzothiazol-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 170408300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).