1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea

C15H18N4O2S — CID 138025268

IUPAC1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea
SMILESCOc1cnc(NC(=O)NCCN2CCc3ccccc32)s1
InChIInChI=1S/C15H18N4O2S/c1-21-13-10-17-15(22-13)18-14(20)16-7-9-19-8-6-11-4-2-3-5-12(11)19/h2-5,10H,6-9H2,1H3,(H2,16,17,18,20)
InChIKeyMXOCQGVZZQLNSN-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.34
Rot. Bonds5

About 1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea

1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea (PubChem CID 138025268) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea
PubChem CID138025268
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea
SMILESCOc1cnc(NC(=O)NCCN2CCc3ccccc32)s1
InChIInChI=1S/C15H18N4O2S/c1-21-13-10-17-15(22-13)18-14(20)16-7-9-19-8-6-11-4-2-3-5-12(11)19/h2-5,10H,6-9H2,1H3,(H2,16,17,18,20)
InChIKeyMXOCQGVZZQLNSN-UHFFFAOYSA-N
XLogP2.34
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide
CID 74248773
methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate
CID 71893155
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110312763
2-(2,3-dihydroindol-1-yl)ethyl acetate
CID 174450799
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 110353132
2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
CID 166431986
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)urea
CID 72901459
(2R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97194945
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea
CID 10171756

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea (CID 138025268) is 1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea is COc1cnc(NC(=O)NCCN2CCc3ccccc32)s1.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The InChIKey is MXOCQGVZZQLNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-21-13-10-17-15(22-13)18-14(20)16-7-9-19-8-6-11-4-2-3-5-12(11)19/h2-5,10H,6-9H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea?
1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea has a molecular weight of 318.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 138025268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).