(2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol

C10H12N4S2 — CID 22299017

IUPAC(2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol
SMILESCc1cc(C)nc(C(S)c2csc(N)n2)n1
InChIInChI=1S/C10H12N4S2/c1-5-3-6(2)13-9(12-5)8(15)7-4-16-10(11)14-7/h3-4,8,15H,1-2H3,(H2,11,14)
InChIKeyJYIOBIZLMXDFST-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.15
Rot. Bonds2

About (2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol

(2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol (PubChem CID 22299017) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol
PubChem CID22299017
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name(2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol
SMILESCc1cc(C)nc(C(S)c2csc(N)n2)n1
InChIInChI=1S/C10H12N4S2/c1-5-3-6(2)13-9(12-5)8(15)7-4-16-10(11)14-7/h3-4,8,15H,1-2H3,(H2,11,14)
InChIKeyJYIOBIZLMXDFST-UHFFFAOYSA-N
XLogP2.15
TPSA64.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
CID 130517444
4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 58125052
4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 87626101
4-(1-aminopropyl)-1,3-thiazol-2-amine
CID 82415862
4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 64543676
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde
CID 54337328
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-amine
CID 87544194
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid
CID 13490301
2-(2-amino-1,3-thiazol-4-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 62795726
4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine
CID 82022400
4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 140629054

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol (CID 22299017) is (2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol is Cc1cc(C)nc(C(S)c2csc(N)n2)n1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol?
The InChIKey is JYIOBIZLMXDFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-5-3-6(2)13-9(12-5)8(15)7-4-16-10(11)14-7/h3-4,8,15H,1-2H3,(H2,11,14).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol?
(2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol has a molecular weight of 252.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol is sourced from PubChem (CID 22299017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).