2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide

C10H11N5S2 — CID 114127834

IUPAC2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide
SMILESCc1cnc(CNc2nccc(C(N)=S)n2)s1
InChIInChI=1S/C10H11N5S2/c1-6-4-13-8(17-6)5-14-10-12-3-2-7(15-10)9(11)16/h2-4H,5H2,1H3,(H2,11,16)(H,12,14,15)
InChIKeyTUEUZVVCCYYSSQ-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.49
Rot. Bonds4

About 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide

2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide (PubChem CID 114127834) has the molecular formula C10H11N5S2 and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide
PubChem CID114127834
Molecular FormulaC10H11N5S2
Molecular Weight265.37 g/mol
Exact Mass265.05
IUPAC Name2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide
SMILESCc1cnc(CNc2nccc(C(N)=S)n2)s1
InChIInChI=1S/C10H11N5S2/c1-6-4-13-8(17-6)5-14-10-12-3-2-7(15-10)9(11)16/h2-4H,5H2,1H3,(H2,11,16)(H,12,14,15)
InChIKeyTUEUZVVCCYYSSQ-UHFFFAOYSA-N
XLogP1.49
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.49
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

2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carbothioamide
CID 107547170
2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-4-carbothioamide
CID 114125566
2-[(4-methylcyclohexyl)methylamino]pyrimidine-4-carbothioamide
CID 107547443
N-[2-[(4-carbamothioylpyrimidin-2-yl)amino]ethyl]acetamide
CID 107546643
2-[(2-methylcyclopentyl)methylamino]pyrimidine-4-carbothioamide
CID 107548274
2-[(4-methylsulfonylphenyl)methylamino]pyrimidine-4-carbothioamide
CID 107547204
2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide
CID 107547316
2-(thiolan-2-ylmethylamino)pyrimidine-4-carbothioamide
CID 107547797
1,3-dimethyl-5-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrazole-4-carbothioamide
CID 114127843
5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide
CID 114162241
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide
CID 114112951
2-(2,2-dimethylheptylamino)pyrimidine-4-carbothioamide
CID 107547785

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide?
The IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide (CID 114127834) is 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide?
The canonical SMILES for 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide is Cc1cnc(CNc2nccc(C(N)=S)n2)s1.
What is the InChIKey of 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide?
The InChIKey is TUEUZVVCCYYSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S2/c1-6-4-13-8(17-6)5-14-10-12-3-2-7(15-10)9(11)16/h2-4H,5H2,1H3,(H2,11,16)(H,12,14,15).
What are the key properties of 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide?
2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide has a molecular weight of 265.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 114127834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).