5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide

C17H14FN5O3S — CID 46896424

IUPAC5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(F)cc3)s2)cn1
InChIInChI=1S/C17H14FN5O3S/c1-26-12-7-6-11(8-20-12)21-17-22-13(14(19)24)16(27-17)23-15(25)9-2-4-10(18)5-3-9/h2-8H,1H3,(H2,19,24)(H,21,22)(H,23,25)
InChIKeyJPVPNPUFCRIHTN-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.78
Rot. Bonds6

About 5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide

5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 46896424) has the molecular formula C17H14FN5O3S and a molecular weight of 387.40 g/mol. Its IUPAC name is 5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID46896424
Molecular FormulaC17H14FN5O3S
Molecular Weight387.40 g/mol
Exact Mass387.08
IUPAC Name5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(F)cc3)s2)cn1
InChIInChI=1S/C17H14FN5O3S/c1-26-12-7-6-11(8-20-12)21-17-22-13(14(19)24)16(27-17)23-15(25)9-2-4-10(18)5-3-9/h2-8H,1H3,(H2,19,24)(H,21,22)(H,23,25)
InChIKeyJPVPNPUFCRIHTN-UHFFFAOYSA-N
XLogP2.78
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide (CID 46896424) is 5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(F)cc3)s2)cn1.
What is the InChIKey of 5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is JPVPNPUFCRIHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3S/c1-26-12-7-6-11(8-20-12)21-17-22-13(14(19)24)16(27-17)23-15(25)9-2-4-10(18)5-3-9/h2-8H,1H3,(H2,19,24)(H,21,22)(H,23,25).
What are the key properties of 5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46896424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).