N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide

C16H16BrN7OS — CID 19149616

IUPACN'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide
SMILESCc1nc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)sc1C
InChIInChI=1S/C16H16BrN7OS/c1-8-9(2)26-16(21-8)22-13-12(18)14(20-7-19-13)23-24-15(25)10-5-3-4-6-11(10)17/h3-7H,18H2,1-2H3,(H,24,25)(H2,19,20,21,22,23)
InChIKeyMYIKBCLTTSYKGZ-UHFFFAOYSA-N
MW434.32 g/mol
LogP3.40
Rot. Bonds5

About N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide

N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide (PubChem CID 19149616) has the molecular formula C16H16BrN7OS and a molecular weight of 434.32 g/mol. Its IUPAC name is N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide
PubChem CID19149616
Molecular FormulaC16H16BrN7OS
Molecular Weight434.32 g/mol
Exact Mass433.03
IUPAC NameN'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide
SMILESCc1nc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)sc1C
InChIInChI=1S/C16H16BrN7OS/c1-8-9(2)26-16(21-8)22-13-12(18)14(20-7-19-13)23-24-15(25)10-5-3-4-6-11(10)17/h3-7H,18H2,1-2H3,(H,24,25)(H2,19,20,21,22,23)
InChIKeyMYIKBCLTTSYKGZ-UHFFFAOYSA-N
XLogP3.40
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149615
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19148592
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19149613
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19149623
N'-[5-amino-6-(naphthalen-1-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19145054
N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide
CID 19151380
N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151370
N'-[5-amino-6-(3,4-difluoroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151410
N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19150088
N'-[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149808
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149902
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151374

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide (CID 19149616) is N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide is Cc1nc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)sc1C.
What is the InChIKey of N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide?
The InChIKey is MYIKBCLTTSYKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN7OS/c1-8-9(2)26-16(21-8)22-13-12(18)14(20-7-19-13)23-24-15(25)10-5-3-4-6-11(10)17/h3-7H,18H2,1-2H3,(H,24,25)(H2,19,20,21,22,23).
What are the key properties of N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide?
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide has a molecular weight of 434.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide is sourced from PubChem (CID 19149616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).