N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide

C16H16N6OS — CID 2111493

IUPACN-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
SMILESCCCn1nnc(NC(=S)NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C16H16N6OS/c1-2-10-22-20-15(19-21-22)18-16(24)17-14(23)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H2,17,18,20,23,24)
InChIKeyFJNALRMUOXBADG-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.36
Rot. Bonds4

About N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide

N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide (PubChem CID 2111493) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
PubChem CID2111493
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
SMILESCCCn1nnc(NC(=S)NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C16H16N6OS/c1-2-10-22-20-15(19-21-22)18-16(24)17-14(23)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H2,17,18,20,23,24)
InChIKeyFJNALRMUOXBADG-UHFFFAOYSA-N
XLogP2.36
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 953455
N-(1-ethyl-1H-tetrazol-5-yl)-2-naphthamide
CID 925601
N-[(2-methyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
CID 938551
N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 2971416
N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide
CID 934049
4-phenyl-N-(2-propyl-5-tetrazolyl)benzamide
CID 893341
N-[(2-methyltetrazol-5-yl)carbamothioyl]naphthalene-2-carboxamide
CID 935004
5-chloro-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
CID 935971
5-bromo-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
CID 1997362
N-(2-butyltetrazol-5-yl)-4-phenylbenzamide
CID 2219056
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-naphthamide
CID 4360816
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-naphthamide
CID 5173408

Frequently Asked Questions

What is the IUPAC name of N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide (CID 2111493) is N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide is CCCn1nnc(NC(=S)NC(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide?
The InChIKey is FJNALRMUOXBADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-2-10-22-20-15(19-21-22)18-16(24)17-14(23)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H2,17,18,20,23,24).
What are the key properties of N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide?
N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide is sourced from PubChem (CID 2111493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).