2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide

C12H17N3OS — CID 17099829

IUPAC2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide
SMILESCc1cccnc1NC(=S)NC(=O)C(C)(C)C
InChIInChI=1S/C12H17N3OS/c1-8-6-5-7-13-9(8)14-11(17)15-10(16)12(2,3)4/h5-7H,1-4H3,(H2,13,14,15,16,17)
InChIKeyJSVLQVQZAMHMBV-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.25
Rot. Bonds1

About 2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide

2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide (PubChem CID 17099829) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide
PubChem CID17099829
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide
SMILESCc1cccnc1NC(=S)NC(=O)C(C)(C)C
InChIInChI=1S/C12H17N3OS/c1-8-6-5-7-13-9(8)14-11(17)15-10(16)12(2,3)4/h5-7H,1-4H3,(H2,13,14,15,16,17)
InChIKeyJSVLQVQZAMHMBV-UHFFFAOYSA-N
XLogP2.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide
CID 2921686
3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 63680516
1-(3-methyl-2-pyridinyl)-3-phenylthiourea
CID 782010
1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
CID 108866068
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
3-bromo-4-methoxy-N-[(3-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 1139159
1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea
CID 47447190
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979
N-[4-(2,2-dimethylpropanoylcarbamothioylamino)phenyl]-2-methylbenzamide
CID 17251764
1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 127097884

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide (CID 17099829) is 2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide is Cc1cccnc1NC(=S)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide?
The InChIKey is JSVLQVQZAMHMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8-6-5-7-13-9(8)14-11(17)15-10(16)12(2,3)4/h5-7H,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide?
2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide has a molecular weight of 251.35 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide is sourced from PubChem (CID 17099829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).