3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one

C18H13N3O2S — CID 886838

IUPAC3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one
SMILESCc1ccnc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1
InChIInChI=1S/C18H13N3O2S/c1-11-6-7-19-16(8-11)21-18-20-14(10-24-18)13-9-12-4-2-3-5-15(12)23-17(13)22/h2-10H,1H3,(H,19,20,21)
InChIKeyUDRQXZZBHOZKKA-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.36
Rot. Bonds3

About 3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one

3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 886838) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one
PubChem CID886838
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one
SMILESCc1ccnc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1
InChIInChI=1S/C18H13N3O2S/c1-11-6-7-19-16(8-11)21-18-20-14(10-24-18)13-9-12-4-2-3-5-15(12)23-17(13)22/h2-10H,1H3,(H,19,20,21)
InChIKeyUDRQXZZBHOZKKA-UHFFFAOYSA-N
XLogP4.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 786894
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
2-(2-(4-Methylthiazol-2-ylamino)pyridin-3-yloxy)benzonitrile
CID 16752714
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
3-[2-(4-Hydroxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 695916
(4-Ethoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 869831
Acetic acid 4-[2-(6-methyl-pyridin-2-ylamino)-thiazol-4-yl]-phenyl ester
CID 1092437
2-(2-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123738
Acetic acid 4-[2-(pyridin-2-ylamino)-thiazol-4-yl]-phenyl ester
CID 972354
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(3-methyl-pyridin-2-yl)-amine
CID 972796
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
1-[(2-Methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87406786

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one (CID 886838) is 3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one is Cc1ccnc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1.
What is the InChIKey of 3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is UDRQXZZBHOZKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-11-6-7-19-16(8-11)21-18-20-14(10-24-18)13-9-12-4-2-3-5-15(12)23-17(13)22/h2-10H,1H3,(H,19,20,21).
What are the key properties of 3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one?
3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 335.39 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 886838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).