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

C18H22N4OS — CID 71913118

IUPAC1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc(CCCNC(=O)NCCc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C18H22N4OS/c1-13-12-24-17(21-13)7-4-9-19-18(23)20-10-8-15-11-14-5-2-3-6-16(14)22-15/h2-3,5-6,11-12,22H,4,7-10H2,1H3,(H2,19,20,23)
InChIKeyVDPFNHRWDVSLMT-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.41
Rot. Bonds7

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

1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 71913118) 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-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID71913118
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc(CCCNC(=O)NCCc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C18H22N4OS/c1-13-12-24-17(21-13)7-4-9-19-18(23)20-10-8-15-11-14-5-2-3-6-16(14)22-15/h2-3,5-6,11-12,22H,4,7-10H2,1H3,(H2,19,20,23)
InChIKeyVDPFNHRWDVSLMT-UHFFFAOYSA-N
XLogP3.41
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97096512
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 37157221
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea
CID 75385727
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 110007093
1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 71913106
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide
CID 67236347
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine
CID 133410036
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 71913118) is 1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1csc(CCCNC(=O)NCCc2cc3ccccc3[nH]2)n1.
What is the InChIKey of 1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is VDPFNHRWDVSLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-13-12-24-17(21-13)7-4-9-19-18(23)20-10-8-15-11-14-5-2-3-6-16(14)22-15/h2-3,5-6,11-12,22H,4,7-10H2,1H3,(H2,19,20,23).
What are the key properties of 1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 342.47 g/mol, XLogP of 3.41, 7 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-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 71913118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).