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

C17H17N3OS2 — CID 9422708

IUPACN-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2csc(Cc3nc(C)cs3)n2)cc1
InChIInChI=1S/C17H17N3OS2/c1-3-15(21)19-13-6-4-12(5-7-13)14-10-23-17(20-14)8-16-18-11(2)9-22-16/h4-7,9-10H,3,8H2,1-2H3,(H,19,21)
InChIKeyXVRKMWDNNMXJRD-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.51
Rot. Bonds5

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

N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 9422708) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID9422708
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2csc(Cc3nc(C)cs3)n2)cc1
InChIInChI=1S/C17H17N3OS2/c1-3-15(21)19-13-6-4-12(5-7-13)14-10-23-17(20-14)8-16-18-11(2)9-22-16/h4-7,9-10H,3,8H2,1-2H3,(H,19,21)
InChIKeyXVRKMWDNNMXJRD-UHFFFAOYSA-N
XLogP4.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 84567446
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
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N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9173882
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide (CID 9422708) is N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2csc(Cc3nc(C)cs3)n2)cc1.
What is the InChIKey of N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is XVRKMWDNNMXJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-3-15(21)19-13-6-4-12(5-7-13)14-10-23-17(20-14)8-16-18-11(2)9-22-16/h4-7,9-10H,3,8H2,1-2H3,(H,19,21).
What are the key properties of N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide?
N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 343.48 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 9422708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).