N,N-di(propan-2-yl)naphthalene-2-carbothioamide

C17H21NS — CID 122374684

IUPACN,N-di(propan-2-yl)naphthalene-2-carbothioamide
SMILESCC(C)N(C(=S)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H21NS/c1-12(2)18(13(3)4)17(19)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,1-4H3
InChIKeyIFHPCZKSYJXIBP-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.63
Rot. Bonds3

About N,N-di(propan-2-yl)naphthalene-2-carbothioamide

N,N-di(propan-2-yl)naphthalene-2-carbothioamide (PubChem CID 122374684) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N,N-di(propan-2-yl)naphthalene-2-carbothioamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)naphthalene-2-carbothioamide
PubChem CID122374684
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN,N-di(propan-2-yl)naphthalene-2-carbothioamide
SMILESCC(C)N(C(=S)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H21NS/c1-12(2)18(13(3)4)17(19)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,1-4H3
InChIKeyIFHPCZKSYJXIBP-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
2-(1-propan-2-yloxyethenyl)naphthalene
CID 157040418
N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 4801962
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315
2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 116553536
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethylidenezirconium(2+)
CID 23124106
2-methoxy-1-naphthalen-2-ylpropan-1-one
CID 79616176

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)naphthalene-2-carbothioamide?
The IUPAC name of N,N-di(propan-2-yl)naphthalene-2-carbothioamide (CID 122374684) is N,N-di(propan-2-yl)naphthalene-2-carbothioamide.
What is the SMILES notation for N,N-di(propan-2-yl)naphthalene-2-carbothioamide?
The canonical SMILES for N,N-di(propan-2-yl)naphthalene-2-carbothioamide is CC(C)N(C(=S)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)naphthalene-2-carbothioamide?
The InChIKey is IFHPCZKSYJXIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-12(2)18(13(3)4)17(19)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)naphthalene-2-carbothioamide?
N,N-di(propan-2-yl)naphthalene-2-carbothioamide has a molecular weight of 271.43 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)naphthalene-2-carbothioamide is sourced from PubChem (CID 122374684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).