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

C15H15N7OS — CID 19147596

IUPACN'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide
SMILESNc1c(NNC(=O)Cc2ccccc2)ncnc1Nc1nccs1
InChIInChI=1S/C15H15N7OS/c16-12-13(20-15-17-6-7-24-15)18-9-19-14(12)22-21-11(23)8-10-4-2-1-3-5-10/h1-7,9H,8,16H2,(H,21,23)(H2,17,18,19,20,22)
InChIKeyNGPXFVQBQKMWEK-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.94
Rot. Bonds6

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

N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide (PubChem CID 19147596) has the molecular formula C15H15N7OS and a molecular weight of 341.40 g/mol. Its IUPAC name is N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide
PubChem CID19147596
Molecular FormulaC15H15N7OS
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC NameN'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide
SMILESNc1c(NNC(=O)Cc2ccccc2)ncnc1Nc1nccs1
InChIInChI=1S/C15H15N7OS/c16-12-13(20-15-17-6-7-24-15)18-9-19-14(12)22-21-11(23)8-10-4-2-1-3-5-10/h1-7,9H,8,16H2,(H,21,23)(H2,17,18,19,20,22)
InChIKeyNGPXFVQBQKMWEK-UHFFFAOYSA-N
XLogP1.94
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.94
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-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19147712
N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19137179
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19146756
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 22540106
6-phenylsulfanyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19147565
N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19152277
6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22542797
6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135239
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751
ethyl 4-[[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 19146330
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19152290

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide (CID 19147596) is N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide is Nc1c(NNC(=O)Cc2ccccc2)ncnc1Nc1nccs1.
What is the InChIKey of N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide?
The InChIKey is NGPXFVQBQKMWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7OS/c16-12-13(20-15-17-6-7-24-15)18-9-19-14(12)22-21-11(23)8-10-4-2-1-3-5-10/h1-7,9H,8,16H2,(H,21,23)(H2,17,18,19,20,22).
What are the key properties of N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide?
N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide has a molecular weight of 341.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide is sourced from PubChem (CID 19147596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).