[4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone

C16H14N4O2S — CID 54587239

IUPAC[4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2sc(Nc3ccncc3)nc2N)c1
InChIInChI=1S/C16H14N4O2S/c1-22-12-4-2-3-10(9-12)13(21)14-15(17)20-16(23-14)19-11-5-7-18-8-6-11/h2-9H,17H2,1H3,(H,18,19,20)
InChIKeyNNOGQWYMWQTRCY-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.10
Rot. Bonds5

About [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone

[4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone (PubChem CID 54587239) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
PubChem CID54587239
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name[4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2sc(Nc3ccncc3)nc2N)c1
InChIInChI=1S/C16H14N4O2S/c1-22-12-4-2-3-10(9-12)13(21)14-15(17)20-16(23-14)19-11-5-7-18-8-6-11/h2-9H,17H2,1H3,(H,18,19,20)
InChIKeyNNOGQWYMWQTRCY-UHFFFAOYSA-N
XLogP3.10
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4-Amino-2-anilino-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399616
2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 4803142
N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832012
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](3-Methoxyphenyl)methanone
CID 44250180
6-(2-Amino-4-pyridinyl)-3-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 156021995
4-Amino-5-benzoyl-2-(4-methoxyphenylamino)thiazole
CID 398017
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
3,5-dimethoxy-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 2660457
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
[4-Amino-2-[[4-[4-(1-methylethyl)-1-piperazinyl]phenyl]amino]-5-thiazolyl](3-methoxyphenyl)methanone
CID 9933545
4-(pyrimidin-4-ylamino)-N-(4-(3-(trifluoromethoxy)phenyl)thiazol-2-yl)benzamide
CID 11619475
N-(4-(2-fluoro-3-(trifluoromethoxy)phenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11684325

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone (CID 54587239) is [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2sc(Nc3ccncc3)nc2N)c1.
What is the InChIKey of [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone?
The InChIKey is NNOGQWYMWQTRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-12-4-2-3-10(9-12)13(21)14-15(17)20-16(23-14)19-11-5-7-18-8-6-11/h2-9H,17H2,1H3,(H,18,19,20).
What are the key properties of [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone?
[4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone has a molecular weight of 326.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 54587239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).