2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

C20H17ClN4O2S2 — CID 78828161

IUPAC2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C20H17ClN4O2S2/c1-11(26)23-15(8-12-9-22-14-5-3-2-4-13(12)14)19(27)25-20-24-16(10-28-20)17-6-7-18(21)29-17/h2-7,9-10,15,22H,8H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyMGCDZWUPXHQHHN-UHFFFAOYSA-N
MW444.97 g/mol
LogP4.69
Rot. Bonds6

About 2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 78828161) has the molecular formula C20H17ClN4O2S2 and a molecular weight of 444.97 g/mol. Its IUPAC name is 2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID78828161
Molecular FormulaC20H17ClN4O2S2
Molecular Weight444.97 g/mol
Exact Mass444.05
IUPAC Name2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C20H17ClN4O2S2/c1-11(26)23-15(8-12-9-22-14-5-3-2-4-13(12)14)19(27)25-20-24-16(10-28-20)17-6-7-18(21)29-17/h2-7,9-10,15,22H,8H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyMGCDZWUPXHQHHN-UHFFFAOYSA-N
XLogP4.69
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.97
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828074
2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 55468200
(2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide
CID 99794385
ethyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 2008799
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 155168482
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
CID 51926679
2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 86945540

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (CID 78828161) is 2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is MGCDZWUPXHQHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S2/c1-11(26)23-15(8-12-9-22-14-5-3-2-4-13(12)14)19(27)25-20-24-16(10-28-20)17-6-7-18(21)29-17/h2-7,9-10,15,22H,8H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of 2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 444.97 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 78828161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).