5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide

C14H15N3OS2 — CID 63748667

IUPAC5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(C(N)=S)cn2)s1
InChIInChI=1S/C14H15N3OS2/c1-8-3-6-12(20-8)9(2)17-14(18)11-5-4-10(7-16-11)13(15)19/h3-7,9H,1-2H3,(H2,15,19)(H,17,18)
InChIKeyTYMKVLQYTBNBHD-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.58
Rot. Bonds4

About 5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide

5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 63748667) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID63748667
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(C(N)=S)cn2)s1
InChIInChI=1S/C14H15N3OS2/c1-8-3-6-12(20-8)9(2)17-14(18)11-5-4-10(7-16-11)13(15)19/h3-7,9H,1-2H3,(H2,15,19)(H,17,18)
InChIKeyTYMKVLQYTBNBHD-UHFFFAOYSA-N
XLogP2.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.58
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

5-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106281493
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 106345629
5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113472815
N-[1-(3-bromophenyl)ethyl]-5-carbamothioylpyridine-2-carboxamide
CID 63748669
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
1-(5-methylthiophen-2-yl)ethylthiourea
CID 61473975
5-carbamothioyl-N-heptan-2-ylpyridine-2-carboxamide
CID 63750456
2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 62186333
5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 103110414
5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 63748666
4-amino-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 81240985
5-carbamothioyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 106261329

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide (CID 63748667) is 5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide is Cc1ccc(C(C)NC(=O)c2ccc(C(N)=S)cn2)s1.
What is the InChIKey of 5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is TYMKVLQYTBNBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-8-3-6-12(20-8)9(2)17-14(18)11-5-4-10(7-16-11)13(15)19/h3-7,9H,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide?
5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 63748667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).