5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol

C14H12N2OS — CID 61169852

IUPAC5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol
SMILESOc1cccc2c(NCc3cscn3)cccc12
InChIInChI=1S/C14H12N2OS/c17-14-6-2-3-11-12(14)4-1-5-13(11)15-7-10-8-18-9-16-10/h1-6,8-9,15,17H,7H2
InChIKeyCXCFSFNFGPDZFD-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.61
Rot. Bonds3

About 5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol

5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol (PubChem CID 61169852) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol.

Molecular Properties

Compound Name5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol
PubChem CID61169852
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol
SMILESOc1cccc2c(NCc3cscn3)cccc12
InChIInChI=1S/C14H12N2OS/c17-14-6-2-3-11-12(14)4-1-5-13(11)15-7-10-8-18-9-16-10/h1-6,8-9,15,17H,7H2
InChIKeyCXCFSFNFGPDZFD-UHFFFAOYSA-N
XLogP3.61
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103478131
2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 63825805
N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60688050
N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine
CID 60690748
3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one
CID 130778586
methyl 2-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60684068
2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169847
5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol
CID 43743059
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861
2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60683495
5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol
CID 43742993
5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol?
The IUPAC name of 5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol (CID 61169852) is 5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol.
What is the SMILES notation for 5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol?
The canonical SMILES for 5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol is Oc1cccc2c(NCc3cscn3)cccc12.
What is the InChIKey of 5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol?
The InChIKey is CXCFSFNFGPDZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-14-6-2-3-11-12(14)4-1-5-13(11)15-7-10-8-18-9-16-10/h1-6,8-9,15,17H,7H2.
What are the key properties of 5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol?
5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol has a molecular weight of 256.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol is sourced from PubChem (CID 61169852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).