1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea

C16H20N4O2S — CID 51083571

IUPAC1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
SMILESCOCCn1cc(NC(=O)NC2CCSc3ccccc32)cn1
InChIInChI=1S/C16H20N4O2S/c1-22-8-7-20-11-12(10-17-20)18-16(21)19-14-6-9-23-15-5-3-2-4-13(14)15/h2-5,10-11,14H,6-9H2,1H3,(H2,18,19,21)
InChIKeyOTUJBQNMOZGSEJ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.89
Rot. Bonds5

About 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea

1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea (PubChem CID 51083571) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
PubChem CID51083571
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
SMILESCOCCn1cc(NC(=O)NC2CCSc3ccccc32)cn1
InChIInChI=1S/C16H20N4O2S/c1-22-8-7-20-11-12(10-17-20)18-16(21)19-14-6-9-23-15-5-3-2-4-13(14)15/h2-5,10-11,14H,6-9H2,1H3,(H2,18,19,21)
InChIKeyOTUJBQNMOZGSEJ-UHFFFAOYSA-N
XLogP2.89
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95151390
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 136524628
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787749
1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea
CID 71895001
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-(2-methoxyethyl)-1,4-diazepane-1-carboxamide
CID 95132058
N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine
CID 43534907
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116670
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711938
2-(cyclopentylamino)-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 54928520
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 51935223
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 42952555

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea (CID 51083571) is 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea is COCCn1cc(NC(=O)NC2CCSc3ccccc32)cn1.
What is the InChIKey of 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The InChIKey is OTUJBQNMOZGSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-22-8-7-20-11-12(10-17-20)18-16(21)19-14-6-9-23-15-5-3-2-4-13(14)15/h2-5,10-11,14H,6-9H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea has a molecular weight of 332.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 51083571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).