4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide

C16H14BrN5OS — CID 5337459

IUPAC4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide
SMILESBr.Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C16H13N5OS.BrH/c1-10-14(21-8-2-7-17-15(21)18-10)13-9-23-16(20-13)19-11-3-5-12(22)6-4-11;/h2-9,22H,1H3,(H,19,20);1H
InChIKeyCZBQUJBVPFVFOK-UHFFFAOYSA-N
MW404.29 g/mol
LogP4.19
Rot. Bonds3

About 4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide

4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide (PubChem CID 5337459) has the molecular formula C16H14BrN5OS and a molecular weight of 404.29 g/mol. Its IUPAC name is 4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide.

Molecular Properties

Compound Name4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide
PubChem CID5337459
Molecular FormulaC16H14BrN5OS
Molecular Weight404.29 g/mol
Exact Mass403.01
IUPAC Name4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide
SMILESBr.Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C16H13N5OS.BrH/c1-10-14(21-8-2-7-17-15(21)18-10)13-9-23-16(20-13)19-11-3-5-12(22)6-4-11;/h2-9,22H,1H3,(H,19,20);1H
InChIKeyCZBQUJBVPFVFOK-UHFFFAOYSA-N
XLogP4.19
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine
CID 1117196
JK184
CID 1069686
4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol
CID 447960
4-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]phenol
CID 6539291
4-[4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-ylamino]phenol
CID 6539292
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-phenyl-1,3-thiazol-2-amine
CID 697303
4-[(4-Pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol
CID 704363
3-[[4-(2-Methylimidazo[1,2-a]pyridin-3-yl)-2-thiazolyl]amino]phenol
CID 3128426
N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 667521
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 2877432
N-(4-Methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine hydrobromide
CID 2877597
CID 2877735
CID 2877735

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide?
The IUPAC name of 4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide (CID 5337459) is 4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide.
What is the SMILES notation for 4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide?
The canonical SMILES for 4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide is Br.Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide?
The InChIKey is CZBQUJBVPFVFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS.BrH/c1-10-14(21-8-2-7-17-15(21)18-10)13-9-23-16(20-13)19-11-3-5-12(22)6-4-11;/h2-9,22H,1H3,(H,19,20);1H.
What are the key properties of 4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide?
4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide has a molecular weight of 404.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide is sourced from PubChem (CID 5337459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).