N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide

C18H15N5OS — CID 56822183

IUPACN-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ncccn2)n1)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C18H15N5OS/c24-16(21-10-13-8-12-4-1-2-5-15(12)22-13)9-14-11-25-18(23-14)17-19-6-3-7-20-17/h1-8,11,22H,9-10H2,(H,21,24)
InChIKeyJXQJMHNNNRWWMF-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.94
Rot. Bonds5

About N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide

N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 56822183) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID56822183
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC NameN-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ncccn2)n1)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C18H15N5OS/c24-16(21-10-13-8-12-4-1-2-5-15(12)22-13)9-14-11-25-18(23-14)17-19-6-3-7-20-17/h1-8,11,22H,9-10H2,(H,21,24)
InChIKeyJXQJMHNNNRWWMF-UHFFFAOYSA-N
XLogP2.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 77079153
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 155948063
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50983519
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110968674
2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 50959390
N-[(4-chlorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434882
3-oxo-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91771220
(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 155497132
3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 91788805
N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171711983

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide (CID 56822183) is N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ncccn2)n1)NCc1cc2ccccc2[nH]1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is JXQJMHNNNRWWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c24-16(21-10-13-8-12-4-1-2-5-15(12)22-13)9-14-11-25-18(23-14)17-19-6-3-7-20-17/h1-8,11,22H,9-10H2,(H,21,24).
What are the key properties of N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 349.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 56822183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).