N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide

C18H20N4OS — CID 171801369

IUPACN-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide
SMILESCc1nc[nH]c1[C@H](C)c1ccc(NC(=O)CCc2nccs2)cc1
InChIInChI=1S/C18H20N4OS/c1-12(18-13(2)20-11-21-18)14-3-5-15(6-4-14)22-16(23)7-8-17-19-9-10-24-17/h3-6,9-12H,7-8H2,1-2H3,(H,20,21)(H,22,23)/t12-/m1/s1
InChIKeyPBXQSCSRQOMSGJ-GFCCVEGCSA-N
MW340.45 g/mol
LogP3.90
Rot. Bonds6

About N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide

N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide (PubChem CID 171801369) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide
PubChem CID171801369
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide
SMILESCc1nc[nH]c1[C@H](C)c1ccc(NC(=O)CCc2nccs2)cc1
InChIInChI=1S/C18H20N4OS/c1-12(18-13(2)20-11-21-18)14-3-5-15(6-4-14)22-16(23)7-8-17-19-9-10-24-17/h3-6,9-12H,7-8H2,1-2H3,(H,20,21)(H,22,23)/t12-/m1/s1
InChIKeyPBXQSCSRQOMSGJ-GFCCVEGCSA-N
XLogP3.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide (CID 171801369) is N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide is Cc1nc[nH]c1[C@H](C)c1ccc(NC(=O)CCc2nccs2)cc1.
What is the InChIKey of N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PBXQSCSRQOMSGJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12(18-13(2)20-11-21-18)14-3-5-15(6-4-14)22-16(23)7-8-17-19-9-10-24-17/h3-6,9-12H,7-8H2,1-2H3,(H,20,21)(H,22,23)/t12-/m1/s1.
What are the key properties of N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide?
N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-(4-methyl-1H-imidazol-5-yl)ethyl]phenyl]-3-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 171801369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).