1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea

C18H32N4OS — CID 86831241

IUPAC1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NCCN1CCc2sccc2C1
InChIInChI=1S/C18H32N4OS/c1-14(2)11-16(13-21(3)4)20-18(23)19-7-9-22-8-5-17-15(12-22)6-10-24-17/h6,10,14,16H,5,7-9,11-13H2,1-4H3,(H2,19,20,23)
InChIKeyMKOLMERCGBIPMM-UHFFFAOYSA-N
MW352.55 g/mol
LogP2.38
Rot. Bonds8

About 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea (PubChem CID 86831241) has the molecular formula C18H32N4OS and a molecular weight of 352.55 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
PubChem CID86831241
Molecular FormulaC18H32N4OS
Molecular Weight352.55 g/mol
Exact Mass352.23
IUPAC Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NCCN1CCc2sccc2C1
InChIInChI=1S/C18H32N4OS/c1-14(2)11-16(13-21(3)4)20-18(23)19-7-9-22-8-5-17-15(12-22)6-10-24-17/h6,10,14,16H,5,7-9,11-13H2,1-4H3,(H2,19,20,23)
InChIKeyMKOLMERCGBIPMM-UHFFFAOYSA-N
XLogP2.38
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea
CID 60569410
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 60569215
4-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pentanamide;dihydrochloride
CID 120564963
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 60569564
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
CID 119862338
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 55069879
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
CID 60569781
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]furan-3-carboxamide
CID 47368373
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 94572472
2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
CID 60569382
(2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081384

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea (CID 86831241) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea.
What is the SMILES notation for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea is CC(C)CC(CN(C)C)NC(=O)NCCN1CCc2sccc2C1.
What is the InChIKey of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
The InChIKey is MKOLMERCGBIPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4OS/c1-14(2)11-16(13-21(3)4)20-18(23)19-7-9-22-8-5-17-15(12-22)6-10-24-17/h6,10,14,16H,5,7-9,11-13H2,1-4H3,(H2,19,20,23).
What are the key properties of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea has a molecular weight of 352.55 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea is sourced from PubChem (CID 86831241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).