1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea

C19H24N4OS — CID 71895001

IUPAC1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea
SMILESCCN(CC)c1ccc(NC(=O)NC2CCSc3ccccc32)cn1
InChIInChI=1S/C19H24N4OS/c1-3-23(4-2)18-10-9-14(13-20-18)21-19(24)22-16-11-12-25-17-8-6-5-7-15(16)17/h5-10,13,16H,3-4,11-12H2,1-2H3,(H2,21,22,24)
InChIKeyGATMVMSXQPMICR-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.29
Rot. Bonds5

About 1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea

1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea (PubChem CID 71895001) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea.

Molecular Properties

Compound Name1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea
PubChem CID71895001
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea
SMILESCCN(CC)c1ccc(NC(=O)NC2CCSc3ccccc32)cn1
InChIInChI=1S/C19H24N4OS/c1-3-23(4-2)18-10-9-14(13-20-18)21-19(24)22-16-11-12-25-17-8-6-5-7-15(16)17/h5-10,13,16H,3-4,11-12H2,1-2H3,(H2,21,22,24)
InChIKeyGATMVMSXQPMICR-UHFFFAOYSA-N
XLogP4.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
CID 51082122
1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94027112
1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
CID 51082005
2-[4-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95151390
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 51083571
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethylbutanamide
CID 79810400
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116670
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methyl-4-nitrophenyl)urea
CID 112839983
1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
N-[6-(diethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 43705952
1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
CID 113012624
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 94156468

Frequently Asked Questions

What is the IUPAC name of 1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea?
The IUPAC name of 1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea (CID 71895001) is 1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea.
What is the SMILES notation for 1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea?
The canonical SMILES for 1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea is CCN(CC)c1ccc(NC(=O)NC2CCSc3ccccc32)cn1.
What is the InChIKey of 1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea?
The InChIKey is GATMVMSXQPMICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-3-23(4-2)18-10-9-14(13-20-18)21-19(24)22-16-11-12-25-17-8-6-5-7-15(16)17/h5-10,13,16H,3-4,11-12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea?
1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea has a molecular weight of 356.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea is sourced from PubChem (CID 71895001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).