4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine

C13H17N5S — CID 95829363

IUPAC4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(N2CCC[C@H]2c2csc(N)n2)n1
InChIInChI=1S/C13H17N5S/c1-8-6-9(2)16-13(15-8)18-5-3-4-11(18)10-7-19-12(14)17-10/h6-7,11H,3-5H2,1-2H3,(H2,14,17)/t11-/m0/s1
InChIKeyQBJJTZXNYWDQND-NSHDSACASA-N
MW275.38 g/mol
LogP2.47
Rot. Bonds2

About 4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine

4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 95829363) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
PubChem CID95829363
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(N2CCC[C@H]2c2csc(N)n2)n1
InChIInChI=1S/C13H17N5S/c1-8-6-9(2)16-13(15-8)18-5-3-4-11(18)10-7-19-12(14)17-10/h6-7,11H,3-5H2,1-2H3,(H2,14,17)/t11-/m0/s1
InChIKeyQBJJTZXNYWDQND-NSHDSACASA-N
XLogP2.47
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[(2R)-1-(4-methyl-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 169049294
4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine
CID 124970255
6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine
CID 166225989
4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 115021188
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide
CID 95827338
4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
CID 125138191
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
1-[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984814
1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984813
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
tert-butyl N-[6-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]carbamate
CID 169049392
4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 16768930

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine (CID 95829363) is 4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine is Cc1cc(C)nc(N2CCC[C@H]2c2csc(N)n2)n1.
What is the InChIKey of 4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is QBJJTZXNYWDQND-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N5S/c1-8-6-9(2)16-13(15-8)18-5-3-4-11(18)10-7-19-12(14)17-10/h6-7,11H,3-5H2,1-2H3,(H2,14,17)/t11-/m0/s1.
What are the key properties of 4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95829363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).