N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

C18H18FN3O3S — CID 171518676

IUPACN-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cc2cc(F)c(OCc3cscn3)cc2[nH]1)C1(CO)CC1
InChIInChI=1S/C18H18FN3O3S/c19-14-4-11-3-12(6-20-17(24)18(9-23)1-2-18)22-15(11)5-16(14)25-7-13-8-26-10-21-13/h3-5,8,10,22-23H,1-2,6-7,9H2,(H,20,24)
InChIKeyUAJRCTUEJCFLNC-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.73
Rot. Bonds7

About N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 171518676) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID171518676
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC NameN-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cc2cc(F)c(OCc3cscn3)cc2[nH]1)C1(CO)CC1
InChIInChI=1S/C18H18FN3O3S/c19-14-4-11-3-12(6-20-17(24)18(9-23)1-2-18)22-15(11)5-16(14)25-7-13-8-26-10-21-13/h3-5,8,10,22-23H,1-2,6-7,9H2,(H,20,24)
InChIKeyUAJRCTUEJCFLNC-UHFFFAOYSA-N
XLogP2.73
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trideuteriomethyl)cyclopropane-1-carboxamide
CID 171518053
cis-(1S,2S)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide
CID 171518553
N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 171731904
1-methyl-N-[[5-[(E)-3-(methylamino)prop-2-enoyl]-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517964
1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518196
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171518276
(2S)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-(hydroxymethyl)azetidine-1-carboxamide
CID 171519776
2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
CID 171519120
N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
CID 171518121
N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide
CID 171518515
N-[[5-chloro-6-(1,3-thiazol-4-ylmethylamino)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518941
N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
CID 171518291

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (CID 171518676) is N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is O=C(NCc1cc2cc(F)c(OCc3cscn3)cc2[nH]1)C1(CO)CC1.
What is the InChIKey of N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is UAJRCTUEJCFLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c19-14-4-11-3-12(6-20-17(24)18(9-23)1-2-18)22-15(11)5-16(14)25-7-13-8-26-10-21-13/h3-5,8,10,22-23H,1-2,6-7,9H2,(H,20,24).
What are the key properties of N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171518676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).