N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide

C19H20N2OS — CID 110440180

IUPACN-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
SMILESCC(C)c1csc(CCNC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C19H20N2OS/c1-13(2)17-12-23-18(21-17)10-11-20-19(22)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyRFCQGPYRDRCVFY-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.39
Rot. Bonds5

About N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide

N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide (PubChem CID 110440180) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
PubChem CID110440180
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
SMILESCC(C)c1csc(CCNC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C19H20N2OS/c1-13(2)17-12-23-18(21-17)10-11-20-19(22)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyRFCQGPYRDRCVFY-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110444040
3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 54773874
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110444853
4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110440220
2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 82546128
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 122565410
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648392
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110446875
3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 124853948
3-(dimethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442482

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide (CID 110440180) is N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide is CC(C)c1csc(CCNC(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide?
The InChIKey is RFCQGPYRDRCVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-13(2)17-12-23-18(21-17)10-11-20-19(22)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12-13H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide?
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 110440180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).