1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea

C14H14N4OS — CID 91286178

IUPAC1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
SMILESCc1cc(NC(=O)Nc2cn(C)c3ccccc23)sn1
InChIInChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-8-18(2)12-6-4-3-5-10(11)12/h3-8H,1-2H3,(H2,15,16,19)
InChIKeySZYIWSKSYZPTHG-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.59
Rot. Bonds2

About 1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea

1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea (PubChem CID 91286178) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
PubChem CID91286178
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
SMILESCc1cc(NC(=O)Nc2cn(C)c3ccccc23)sn1
InChIInChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-8-18(2)12-6-4-3-5-10(11)12/h3-8H,1-2H3,(H2,15,16,19)
InChIKeySZYIWSKSYZPTHG-UHFFFAOYSA-N
XLogP3.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea
CID 40519573
3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide
CID 115153480
2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide
CID 166187686
2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide
CID 115187165
3-methyl-4-[(1-methylindol-3-yl)amino]-4-oxobutanoic acid
CID 115164456
1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea
CID 40519549
3-(1-methylindol-3-yl)-1,1-dipropylurea
CID 40519468
6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 118307242
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea
CID 6625823
4-amino-N-(1-methylindol-3-yl)pentanamide
CID 115156554
2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
CID 10222620
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea
CID 18582320

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea?
The IUPAC name of 1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea (CID 91286178) is 1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea.
What is the SMILES notation for 1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea?
The canonical SMILES for 1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea is Cc1cc(NC(=O)Nc2cn(C)c3ccccc23)sn1.
What is the InChIKey of 1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea?
The InChIKey is SZYIWSKSYZPTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-8-18(2)12-6-4-3-5-10(11)12/h3-8H,1-2H3,(H2,15,16,19).
What are the key properties of 1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea?
1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea has a molecular weight of 286.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea is sourced from PubChem (CID 91286178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).