N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide

C17H18N4OS2 — CID 110406547

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCc1nc(CCNC(=O)CCc2csc(-c3ccccn3)n2)cs1
InChIInChI=1S/C17H18N4OS2/c1-12-20-14(10-23-12)7-9-19-16(22)6-5-13-11-24-17(21-13)15-4-2-3-8-18-15/h2-4,8,10-11H,5-7,9H2,1H3,(H,19,22)
InChIKeyKTRRHTTWIMCIME-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.26
Rot. Bonds7

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110406547) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110406547
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCc1nc(CCNC(=O)CCc2csc(-c3ccccn3)n2)cs1
InChIInChI=1S/C17H18N4OS2/c1-12-20-14(10-23-12)7-9-19-16(22)6-5-13-11-24-17(21-13)15-4-2-3-8-18-15/h2-4,8,10-11H,5-7,9H2,1H3,(H,19,22)
InChIKeyKTRRHTTWIMCIME-UHFFFAOYSA-N
XLogP3.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
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N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
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N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110627595
3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624932
2-(4-ethoxyphenyl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110284963
N-(ethylsulfamoyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 110624920
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
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3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (CID 110406547) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide is Cc1nc(CCNC(=O)CCc2csc(-c3ccccn3)n2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is KTRRHTTWIMCIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-12-20-14(10-23-12)7-9-19-16(22)6-5-13-11-24-17(21-13)15-4-2-3-8-18-15/h2-4,8,10-11H,5-7,9H2,1H3,(H,19,22).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 358.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110406547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).