2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide

C15H12N4S — CID 107547161

IUPAC2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide
SMILESNC(=S)c1ccnc(Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C15H12N4S/c16-14(20)13-7-8-17-15(19-13)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,16,20)(H,17,18,19)
InChIKeyQBSWKZGURXOYIR-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.01
Rot. Bonds3

About 2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide

2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide (PubChem CID 107547161) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide
PubChem CID107547161
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide
SMILESNC(=S)c1ccnc(Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C15H12N4S/c16-14(20)13-7-8-17-15(19-13)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,16,20)(H,17,18,19)
InChIKeyQBSWKZGURXOYIR-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloroanilino)pyrimidine-4-carbothioamide
CID 107546376
2-(4-fluoroanilino)pyrimidine-4-carbothioamide
CID 107546384
2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidine-4-carbothioamide
CID 107546320
2-(3-chloro-4-fluoroanilino)pyrimidine-4-carbothioamide
CID 107546513
2-[3-(dimethylamino)anilino]pyrimidine-4-carbothioamide
CID 107547845
2-(2,4,5-trifluoroanilino)pyrimidine-4-carbothioamide
CID 107547329
3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide
CID 80511098
2-[2-(difluoromethylsulfanyl)anilino]pyrimidine-4-carbothioamide
CID 107546267
5-iodo-N-naphthalen-2-ylpyrimidin-2-amine
CID 116648943
2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107854625
2-bromo-6-(naphthalen-2-ylamino)benzenecarbothioamide
CID 114882260
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide?
The IUPAC name of 2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide (CID 107547161) is 2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide?
The canonical SMILES for 2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide is NC(=S)c1ccnc(Nc2ccc3ccccc3c2)n1.
What is the InChIKey of 2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide?
The InChIKey is QBSWKZGURXOYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c16-14(20)13-7-8-17-15(19-13)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,16,20)(H,17,18,19).
What are the key properties of 2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide?
2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide has a molecular weight of 280.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide is sourced from PubChem (CID 107547161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).