1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea

C19H18N6O2S2 — CID 25138110

IUPAC1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea
SMILESCOc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
InChIInChI=1S/C19H18N6O2S2/c1-27-13-4-2-3-12(9-13)24-18(26)25-19-21-10-14(29-19)5-7-20-17-16-15(6-8-28-16)22-11-23-17/h2-4,6,8-11H,5,7H2,1H3,(H,20,22,23)(H2,21,24,25,26)
InChIKeyOUVKIGKEIWFBJL-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.45
Rot. Bonds7

About 1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea

1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea (PubChem CID 25138110) has the molecular formula C19H18N6O2S2 and a molecular weight of 426.53 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea
PubChem CID25138110
Molecular FormulaC19H18N6O2S2
Molecular Weight426.53 g/mol
Exact Mass426.09
IUPAC Name1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea
SMILESCOc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
InChIInChI=1S/C19H18N6O2S2/c1-27-13-4-2-3-12(9-13)24-18(26)25-19-21-10-14(29-19)5-7-20-17-16-15(6-8-28-16)22-11-23-17/h2-4,6,8-11H,5,7H2,1H3,(H,20,22,23)(H2,21,24,25,26)
InChIKeyOUVKIGKEIWFBJL-UHFFFAOYSA-N
XLogP4.45
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea (CID 25138110) is 1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea is COc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is OUVKIGKEIWFBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S2/c1-27-13-4-2-3-12(9-13)24-18(26)25-19-21-10-14(29-19)5-7-20-17-16-15(6-8-28-16)22-11-23-17/h2-4,6,8-11H,5,7H2,1H3,(H,20,22,23)(H2,21,24,25,26).
What are the key properties of 1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea?
1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 426.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 25138110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).