1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea

C20H20N4O2S — CID 68720870

IUPAC1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2cnc(C3(O)CCCC3)s2)cn1
InChIInChI=1S/C20H20N4O2S/c25-19(23-15-6-2-1-3-7-15)24-17-9-8-14(12-21-17)16-13-22-18(27-16)20(26)10-4-5-11-20/h1-3,6-9,12-13,26H,4-5,10-11H2,(H2,21,23,24,25)
InChIKeyJCWNQANPXLFMTA-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.61
Rot. Bonds4

About 1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea

1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea (PubChem CID 68720870) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea
PubChem CID68720870
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2cnc(C3(O)CCCC3)s2)cn1
InChIInChI=1S/C20H20N4O2S/c25-19(23-15-6-2-1-3-7-15)24-17-9-8-14(12-21-17)16-13-22-18(27-16)20(26)10-4-5-11-20/h1-3,6-9,12-13,26H,4-5,10-11H2,(H2,21,23,24,25)
InChIKeyJCWNQANPXLFMTA-UHFFFAOYSA-N
XLogP4.61
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[5-[6-[[3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1,3-thiazol-2-yl]cyclopentyl]oxyacetic acid
CID 25107299
methyl 1-[5-[4-[(3-fluorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylate
CID 142715437
1-[3-[2-(1-hydroxycyclobutyl)-1,3-thiazol-5-yl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-3-propan-2-ylurea
CID 67431498
1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea
CID 113010098
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68749284
1-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-phenylurea
CID 113028652
1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea
CID 113036867
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea
CID 113038878
1-[5-(butylamino)-2-pyridinyl]-3-phenylurea
CID 113024016
1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea
CID 89181939
(5-phenyl-2-pyridinyl)carbamic acid
CID 69225879

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea (CID 68720870) is 1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(-c2cnc(C3(O)CCCC3)s2)cn1.
What is the InChIKey of 1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea?
The InChIKey is JCWNQANPXLFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19(23-15-6-2-1-3-7-15)24-17-9-8-14(12-21-17)16-13-22-18(27-16)20(26)10-4-5-11-20/h1-3,6-9,12-13,26H,4-5,10-11H2,(H2,21,23,24,25).
What are the key properties of 1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea?
1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea has a molecular weight of 380.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylurea is sourced from PubChem (CID 68720870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).