N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide

C19H16ClN7OS — CID 19150084

IUPACN'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
SMILESCc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3N)sc2c1
InChIInChI=1S/C19H16ClN7OS/c1-10-2-7-13-14(8-10)29-19(24-13)25-16-15(21)17(23-9-22-16)26-27-18(28)11-3-5-12(20)6-4-11/h2-9H,21H2,1H3,(H,27,28)(H2,22,23,24,25,26)
InChIKeyAZEASZPPDBTCJL-UHFFFAOYSA-N
MW425.91 g/mol
LogP4.13
Rot. Bonds5

About N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide

N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide (PubChem CID 19150084) has the molecular formula C19H16ClN7OS and a molecular weight of 425.91 g/mol. Its IUPAC name is N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
PubChem CID19150084
Molecular FormulaC19H16ClN7OS
Molecular Weight425.91 g/mol
Exact Mass425.08
IUPAC NameN'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
SMILESCc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3N)sc2c1
InChIInChI=1S/C19H16ClN7OS/c1-10-2-7-13-14(8-10)29-19(24-13)25-16-15(21)17(23-9-22-16)26-27-18(28)11-3-5-12(20)6-4-11/h2-9H,21H2,1H3,(H,27,28)(H2,22,23,24,25,26)
InChIKeyAZEASZPPDBTCJL-UHFFFAOYSA-N
XLogP4.13
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 54.13
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-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19150094
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-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150707
6-(4-chlorophenyl)sulfanyl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19136602
6-(2-tert-butylhydrazinyl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150109
N'-[5-amino-6-(1,3-benzothiazol-2-ylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19145981
N'-[5-amino-6-(3,5-dichloroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22545003
N'-[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150738
6-N-ethyl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135263
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545208
ethyl 3-[[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19150122
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22541016

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide (CID 19150084) is N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide is Cc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3N)sc2c1.
What is the InChIKey of N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide?
The InChIKey is AZEASZPPDBTCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7OS/c1-10-2-7-13-14(8-10)29-19(24-13)25-16-15(21)17(23-9-22-16)26-27-18(28)11-3-5-12(20)6-4-11/h2-9H,21H2,1H3,(H,27,28)(H2,22,23,24,25,26).
What are the key properties of N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide?
N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide has a molecular weight of 425.91 g/mol, XLogP of 4.13, 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-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide is sourced from PubChem (CID 19150084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).