2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide

C14H18N4OS2 — CID 70733192

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CC(=O)NCc2csc(N3CCCC3)n2)cs1
InChIInChI=1S/C14H18N4OS2/c1-10-16-11(8-20-10)6-13(19)15-7-12-9-21-14(17-12)18-4-2-3-5-18/h8-9H,2-7H2,1H3,(H,15,19)
InChIKeyPGPIFWKEBFXYFW-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.37
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 70733192) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID70733192
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CC(=O)NCc2csc(N3CCCC3)n2)cs1
InChIInChI=1S/C14H18N4OS2/c1-10-16-11(8-20-10)6-13(19)15-7-12-9-21-14(17-12)18-4-2-3-5-18/h8-9H,2-7H2,1H3,(H,15,19)
InChIKeyPGPIFWKEBFXYFW-UHFFFAOYSA-N
XLogP2.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45887516
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide
CID 50983544
2-(diethylamino)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 56792319
2-tert-butylsulfanyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 72010286
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-sulfanylethyl)acetamide
CID 177679596
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
(2S)-2-(2-oxopyrrolidin-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97936177
N-[2-(4-Isopropyl-1,3-thiazol-2-YL)ethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 124218317
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 126768858
2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 40169278
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55716183
1-[4-[2-[3,3-Bis(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 86965820

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 70733192) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide is Cc1nc(CC(=O)NCc2csc(N3CCCC3)n2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is PGPIFWKEBFXYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-10-16-11(8-20-10)6-13(19)15-7-12-9-21-14(17-12)18-4-2-3-5-18/h8-9H,2-7H2,1H3,(H,15,19).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 322.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 70733192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).