N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

C18H17Cl2N3O2S — CID 171519375

IUPACN-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(Cl)c(OCc4ncsc4Cl)cc3[nH]2)CC1
InChIInChI=1S/C18H17Cl2N3O2S/c1-18(2-3-18)17(24)21-7-11-4-10-5-12(19)15(6-13(10)23-11)25-8-14-16(20)26-9-22-14/h4-6,9,23H,2-3,7-8H2,1H3,(H,21,24)
InChIKeyIKCORSGSHPZNIP-UHFFFAOYSA-N
MW410.33 g/mol
LogP4.93
Rot. Bonds6

About N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171519375) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171519375
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC NameN-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(Cl)c(OCc4ncsc4Cl)cc3[nH]2)CC1
InChIInChI=1S/C18H17Cl2N3O2S/c1-18(2-3-18)17(24)21-7-11-4-10-5-12(19)15(6-13(10)23-11)25-8-14-16(20)26-9-22-14/h4-6,9,23H,2-3,7-8H2,1H3,(H,21,24)
InChIKeyIKCORSGSHPZNIP-UHFFFAOYSA-N
XLogP4.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 171519375) is N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3cc(Cl)c(OCc4ncsc4Cl)cc3[nH]2)CC1.
What is the InChIKey of N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is IKCORSGSHPZNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c1-18(2-3-18)17(24)21-7-11-4-10-5-12(19)15(6-13(10)23-11)25-8-14-16(20)26-9-22-14/h4-6,9,23H,2-3,7-8H2,1H3,(H,21,24).
What are the key properties of N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 410.33 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171519375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).