1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea

C17H21N7O2S — CID 51946012

IUPAC1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea
SMILESCSc1nnnn1-c1cccc(NC(=O)NC[C@@H](c2ccco2)N(C)C)c1
InChIInChI=1S/C17H21N7O2S/c1-23(2)14(15-8-5-9-26-15)11-18-16(25)19-12-6-4-7-13(10-12)24-17(27-3)20-21-22-24/h4-10,14H,11H2,1-3H3,(H2,18,19,25)/t14-/m0/s1
InChIKeyHSXKLVGCYWXELG-AWEZNQCLSA-N
MW387.47 g/mol
LogP2.40
Rot. Bonds7

About 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea

1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea (PubChem CID 51946012) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea
PubChem CID51946012
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea
SMILESCSc1nnnn1-c1cccc(NC(=O)NC[C@@H](c2ccco2)N(C)C)c1
InChIInChI=1S/C17H21N7O2S/c1-23(2)14(15-8-5-9-26-15)11-18-16(25)19-12-6-4-7-13(10-12)24-17(27-3)20-21-22-24/h4-10,14H,11H2,1-3H3,(H2,18,19,25)/t14-/m0/s1
InChIKeyHSXKLVGCYWXELG-AWEZNQCLSA-N
XLogP2.40
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea with MolForge

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Related Compounds

4-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]butanoic acid
CID 122078184
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
(2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
CID 94786814
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 51946045
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60583718
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 166180390
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
CID 60577408
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea (CID 51946012) is 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea is CSc1nnnn1-c1cccc(NC(=O)NC[C@@H](c2ccco2)N(C)C)c1.
What is the InChIKey of 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea?
The InChIKey is HSXKLVGCYWXELG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N7O2S/c1-23(2)14(15-8-5-9-26-15)11-18-16(25)19-12-6-4-7-13(10-12)24-17(27-3)20-21-22-24/h4-10,14H,11H2,1-3H3,(H2,18,19,25)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea?
1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea has a molecular weight of 387.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 51946012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).