1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C18H22N4OS — CID 97096512

IUPAC1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCC[C@@H](NC(=O)NCCc1cc2ccccc2[nH]1)c1nc(C)cs1
InChIInChI=1S/C18H22N4OS/c1-3-15(17-20-12(2)11-24-17)22-18(23)19-9-8-14-10-13-6-4-5-7-16(13)21-14/h4-7,10-11,15,21H,3,8-9H2,1-2H3,(H2,19,22,23)/t15-/m1/s1
InChIKeyYOGCYPOOFUGDJA-OAHLLOKOSA-N
MW342.47 g/mol
LogP3.93
Rot. Bonds6

About 1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 97096512) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID97096512
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCC[C@@H](NC(=O)NCCc1cc2ccccc2[nH]1)c1nc(C)cs1
InChIInChI=1S/C18H22N4OS/c1-3-15(17-20-12(2)11-24-17)22-18(23)19-9-8-14-10-13-6-4-5-7-16(13)21-14/h4-7,10-11,15,21H,3,8-9H2,1-2H3,(H2,19,22,23)/t15-/m1/s1
InChIKeyYOGCYPOOFUGDJA-OAHLLOKOSA-N
XLogP3.93
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 97096512) is 1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is CC[C@@H](NC(=O)NCCc1cc2ccccc2[nH]1)c1nc(C)cs1.
What is the InChIKey of 1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is YOGCYPOOFUGDJA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-3-15(17-20-12(2)11-24-17)22-18(23)19-9-8-14-10-13-6-4-5-7-16(13)21-14/h4-7,10-11,15,21H,3,8-9H2,1-2H3,(H2,19,22,23)/t15-/m1/s1.
What are the key properties of 1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 342.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 97096512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).