1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea

C18H18N4OS2 — CID 19703338

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea
SMILESCOc1ccc(CCNC(=S)Nc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C18H18N4OS2/c1-23-15-6-4-13(5-7-15)8-10-20-17(24)22-18-21-16(12-25-18)14-3-2-9-19-11-14/h2-7,9,11-12H,8,10H2,1H3,(H2,20,21,22,24)
InChIKeyOJYQKKRMOIIDJL-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.74
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea

1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea (PubChem CID 19703338) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea
PubChem CID19703338
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea
SMILESCOc1ccc(CCNC(=S)Nc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C18H18N4OS2/c1-23-15-6-4-13(5-7-15)8-10-20-17(24)22-18-21-16(12-25-18)14-3-2-9-19-11-14/h2-7,9,11-12H,8,10H2,1H3,(H2,20,21,22,24)
InChIKeyOJYQKKRMOIIDJL-UHFFFAOYSA-N
XLogP3.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(2-pyrimidin-2-ylethyl)thiourea
CID 57078474
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-phenylacetamide
CID 3502964
3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110446009
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
1-[2-(2,6-dimethoxyphenyl)ethyl]-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]thiourea
CID 19703891
1-(3-bromo-2-pyridinyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 19703420
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2,2-dimethylpropanamide
CID 17099839
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 78875128
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791260

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea (CID 19703338) is 1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea is COc1ccc(CCNC(=S)Nc2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea?
The InChIKey is OJYQKKRMOIIDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c1-23-15-6-4-13(5-7-15)8-10-20-17(24)22-18-21-16(12-25-18)14-3-2-9-19-11-14/h2-7,9,11-12H,8,10H2,1H3,(H2,20,21,22,24).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea?
1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea has a molecular weight of 370.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 19703338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).