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

C16H16ClN7OS — CID 19149615

IUPACN'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
SMILESCc1nc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2N)sc1C
InChIInChI=1S/C16H16ClN7OS/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)
InChIKeyYWDNIRNLQLUIBO-UHFFFAOYSA-N
MW389.87 g/mol
LogP3.29
Rot. Bonds5

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

N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide (PubChem CID 19149615) has the molecular formula C16H16ClN7OS and a molecular weight of 389.87 g/mol. Its IUPAC name is N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
PubChem CID19149615
Molecular FormulaC16H16ClN7OS
Molecular Weight389.87 g/mol
Exact Mass389.08
IUPAC NameN'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
SMILESCc1nc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2N)sc1C
InChIInChI=1S/C16H16ClN7OS/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)
InChIKeyYWDNIRNLQLUIBO-UHFFFAOYSA-N
XLogP3.29
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 53.29
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-bromobenzohydrazide
CID 19149616
N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19150088
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-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149115
6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 23477554
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19148804
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19145189
N'-[5-amino-6-[2-(2-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151292
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151344
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19146738
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151296

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-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide (CID 19149615) is N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide is Cc1nc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2N)sc1C.
What is the InChIKey of N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide?
The InChIKey is YWDNIRNLQLUIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7OS/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-chlorobenzohydrazide?
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide has a molecular weight of 389.87 g/mol, XLogP of 3.29, 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-chlorobenzohydrazide is sourced from PubChem (CID 19149615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).