N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide

C16H17N3O2S — CID 77085780

IUPACN-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide
SMILESCn1ccc2c(C(=O)N(CCO)Cc3nccs3)cccc21
InChIInChI=1S/C16H17N3O2S/c1-18-7-5-12-13(3-2-4-14(12)18)16(21)19(8-9-20)11-15-17-6-10-22-15/h2-7,10,20H,8-9,11H2,1H3
InChIKeyNDVPBNYMGGXZBL-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.27
Rot. Bonds5

About N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide

N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide (PubChem CID 77085780) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide
PubChem CID77085780
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide
SMILESCn1ccc2c(C(=O)N(CCO)Cc3nccs3)cccc21
InChIInChI=1S/C16H17N3O2S/c1-18-7-5-12-13(3-2-4-14(12)18)16(21)19(8-9-20)11-15-17-6-10-22-15/h2-7,10,20H,8-9,11H2,1H3
InChIKeyNDVPBNYMGGXZBL-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide
CID 71704096
N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 50948822
N-(2-hydroxyethyl)-8-methyl-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 28979648
N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide
CID 146122633
(1-methylindol-4-yl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 71880141
6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 74237743
N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77089569
N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 97197758
N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide
CID 168720733
1-methyl-N-(1-methylimidazol-2-yl)indole-4-carboxamide
CID 134712669
N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72884295
2-fluoroethyl 1-methylindole-4-carboxylate
CID 86768941

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide (CID 77085780) is N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide is Cn1ccc2c(C(=O)N(CCO)Cc3nccs3)cccc21.
What is the InChIKey of N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide?
The InChIKey is NDVPBNYMGGXZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-18-7-5-12-13(3-2-4-14(12)18)16(21)19(8-9-20)11-15-17-6-10-22-15/h2-7,10,20H,8-9,11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide?
N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide is sourced from PubChem (CID 77085780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).