1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea

C17H21N3OS — CID 49483368

IUPAC1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCC(NC(=O)NCc1cscn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21N3OS/c1-12(20-17(21)18-9-16-10-22-11-19-16)14-7-6-13-4-2-3-5-15(13)8-14/h6-8,10-12H,2-5,9H2,1H3,(H2,18,20,21)
InChIKeyCBGCYGKKOCCIOG-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.58
Rot. Bonds4

About 1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea

1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 49483368) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
PubChem CID49483368
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCC(NC(=O)NCc1cscn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21N3OS/c1-12(20-17(21)18-9-16-10-22-11-19-16)14-7-6-13-4-2-3-5-15(13)8-14/h6-8,10-12H,2-5,9H2,1H3,(H2,18,20,21)
InChIKeyCBGCYGKKOCCIOG-UHFFFAOYSA-N
XLogP3.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108899407
1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153
N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide
CID 42891543
1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 110892252
1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880168
1-[3-(4-methylphenoxy)propyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108881273
1-[(2-ethylphenoxy)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108893248
2-pyrimidin-2-ylsulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 51110143
2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244
1-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95976867
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578
2-(1-aminocyclobutyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 79843533

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea (CID 49483368) is 1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea is CC(NC(=O)NCc1cscn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is CBGCYGKKOCCIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12(20-17(21)18-9-16-10-22-11-19-16)14-7-6-13-4-2-3-5-15(13)8-14/h6-8,10-12H,2-5,9H2,1H3,(H2,18,20,21).
What are the key properties of 1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea?
1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 315.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 49483368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).