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

C15H16N8OS — CID 19149623

IUPACN'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCc1nc(Nc2ncnc(NNC(=O)c3cccnc3)c2N)sc1C
InChIInChI=1S/C15H16N8OS/c1-8-9(2)25-15(20-8)21-12-11(16)13(19-7-18-12)22-23-14(24)10-4-3-5-17-6-10/h3-7H,16H2,1-2H3,(H,23,24)(H2,18,19,20,21,22)
InChIKeyHVKHQQGGHLBYID-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.03
Rot. Bonds5

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

N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 19149623) has the molecular formula C15H16N8OS and a molecular weight of 356.42 g/mol. Its IUPAC name is N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID19149623
Molecular FormulaC15H16N8OS
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC NameN'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCc1nc(Nc2ncnc(NNC(=O)c3cccnc3)c2N)sc1C
InChIInChI=1S/C15H16N8OS/c1-8-9(2)25-15(20-8)21-12-11(16)13(19-7-18-12)22-23-14(24)10-4-3-5-17-6-10/h3-7H,16H2,1-2H3,(H,23,24)(H2,18,19,20,21,22)
InChIKeyHVKHQQGGHLBYID-UHFFFAOYSA-N
XLogP2.03
TPSA130.74 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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]-4-fluorobenzohydrazide
CID 19149613
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[5-amino-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19144647
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149615
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149616
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151902
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135674
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19148917
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134

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]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 19149623) is N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide is Cc1nc(Nc2ncnc(NNC(=O)c3cccnc3)c2N)sc1C.
What is the InChIKey of N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is HVKHQQGGHLBYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8OS/c1-8-9(2)25-15(20-8)21-12-11(16)13(19-7-18-12)22-23-14(24)10-4-3-5-17-6-10/h3-7H,16H2,1-2H3,(H,23,24)(H2,18,19,20,21,22).
What are the key properties of N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 356.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 4 hydrogen bond donors, and 9 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]pyridine-3-carbohydrazide is sourced from PubChem (CID 19149623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).