5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine

C22H21N7O2S — CID 15979398

IUPAC5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ncc(-c2cncc(-c3cnc(Nc4cc(N5CCOCC5)ccn4)s3)c2)cn1
InChIInChI=1S/C22H21N7O2S/c1-30-21-25-12-17(13-26-21)15-8-16(11-23-10-15)19-14-27-22(32-19)28-20-9-18(2-3-24-20)29-4-6-31-7-5-29/h2-3,8-14H,4-7H2,1H3,(H,24,27,28)
InChIKeyDUYDPPVRCRDTFV-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.65
Rot. Bonds6

About 5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine

5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 15979398) has the molecular formula C22H21N7O2S and a molecular weight of 447.52 g/mol. Its IUPAC name is 5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID15979398
Molecular FormulaC22H21N7O2S
Molecular Weight447.52 g/mol
Exact Mass447.15
IUPAC Name5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ncc(-c2cncc(-c3cnc(Nc4cc(N5CCOCC5)ccn4)s3)c2)cn1
InChIInChI=1S/C22H21N7O2S/c1-30-21-25-12-17(13-26-21)15-8-16(11-23-10-15)19-14-27-22(32-19)28-20-9-18(2-3-24-20)29-4-6-31-7-5-29/h2-3,8-14H,4-7H2,1H3,(H,24,27,28)
InChIKeyDUYDPPVRCRDTFV-UHFFFAOYSA-N
XLogP3.65
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(Morpholin-4-Yl)-2-[4-(2-{[5-(Pyridin-3-Yl)-1,3-Thiazol-2-Yl]amino}pyridin-4-Yl)piperazin-1-Yl]ethanone
CID 56932125
5-(6-(2-Aminopropan-2-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109014
(S)-2-(2-(1-(5-fluoropyridin-2-yl)ethylamino)-6-morpholinopyrimidin-4-ylamino)thiazole-5-carbonitrile
CID 25102936
3-Amino-1-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propan-1-one
CID 70683114
4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 11633996
4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 11648288
[4-[2-[(5-Pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol
CID 15978890
2-[[2-[(5-Pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol
CID 15978891
N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 15978893
1-[4-[2-[[5-(6-Methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 15978894
N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 15979015
5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979020

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 15979398) is 5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine is COc1ncc(-c2cncc(-c3cnc(Nc4cc(N5CCOCC5)ccn4)s3)c2)cn1.
What is the InChIKey of 5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is DUYDPPVRCRDTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2S/c1-30-21-25-12-17(13-26-21)15-8-16(11-23-10-15)19-14-27-22(32-19)28-20-9-18(2-3-24-20)29-4-6-31-7-5-29/h2-3,8-14H,4-7H2,1H3,(H,24,27,28).
What are the key properties of 5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 447.52 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15979398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).