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

C16H15N3OS — CID 64558447

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
SMILESCC(N)c1csc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C16H15N3OS/c1-10(17)14-9-21-16(18-14)19-15(20)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,17H2,1H3,(H,18,19,20)
InChIKeyPQTUAJWIHVBHED-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.57
Rot. Bonds3

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

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide (PubChem CID 64558447) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
PubChem CID64558447
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
SMILESCC(N)c1csc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C16H15N3OS/c1-10(17)14-9-21-16(18-14)19-15(20)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,17H2,1H3,(H,18,19,20)
InChIKeyPQTUAJWIHVBHED-UHFFFAOYSA-N
XLogP3.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-3-methylbenzamide
CID 81482142
N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5066416
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 64555667
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-bromo-2-hydroxybenzamide
CID 64557640
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-fluoro-2-hydroxybenzamide
CID 107014642
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37019052
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 64556453
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide (CID 64558447) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide is CC(N)c1csc(NC(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The InChIKey is PQTUAJWIHVBHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10(17)14-9-21-16(18-14)19-15(20)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,17H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 64558447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).