2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide

C13H16N4S2 — CID 107547721

IUPAC2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide
SMILESCC(Cc1cccs1)N(C)c1nccc(C(N)=S)n1
InChIInChI=1S/C13H16N4S2/c1-9(8-10-4-3-7-19-10)17(2)13-15-6-5-11(16-13)12(14)18/h3-7,9H,8H2,1-2H3,(H2,14,18)
InChIKeyTWXKNBILJUISIT-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.24
Rot. Bonds5

About 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide

2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide (PubChem CID 107547721) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide
PubChem CID107547721
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide
SMILESCC(Cc1cccs1)N(C)c1nccc(C(N)=S)n1
InChIInChI=1S/C13H16N4S2/c1-9(8-10-4-3-7-19-10)17(2)13-15-6-5-11(16-13)12(14)18/h3-7,9H,8H2,1-2H3,(H2,14,18)
InChIKeyTWXKNBILJUISIT-UHFFFAOYSA-N
XLogP2.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547939
2-N,4-N,4-N-trimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80849728
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 79476306
3-N-methyl-3-N-(1-thiophen-2-ylpropan-2-yl)pyrazine-2,3-diamine
CID 113268505
4-(aminomethyl)-3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 107055661
[3-fluoro-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4-pyridinyl]methanol
CID 105383120
2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide
CID 107548612
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide
CID 79476522
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
2-[1-(dimethylamino)propan-2-yl-ethylamino]pyrimidine-4-carbothioamide
CID 107548219
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
2-bromo-3-fluoro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarbothioamide
CID 107535244

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide?
The IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide (CID 107547721) is 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide?
The canonical SMILES for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide is CC(Cc1cccs1)N(C)c1nccc(C(N)=S)n1.
What is the InChIKey of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide?
The InChIKey is TWXKNBILJUISIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-9(8-10-4-3-7-19-10)17(2)13-15-6-5-11(16-13)12(14)18/h3-7,9H,8H2,1-2H3,(H2,14,18).
What are the key properties of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide?
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide has a molecular weight of 292.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107547721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).