4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine

C16H21N5S2 — CID 100651914

IUPAC4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine
SMILESCc1nc([C@@H]2CCCN2c2cc(N3CCSCC3)ncn2)cs1
InChIInChI=1S/C16H21N5S2/c1-12-19-13(10-23-12)14-3-2-4-21(14)16-9-15(17-11-18-16)20-5-7-22-8-6-20/h9-11,14H,2-8H2,1H3/t14-/m0/s1
InChIKeyCDNYWYXZEWMVGA-AWEZNQCLSA-N
MW347.51 g/mol
LogP3.14
Rot. Bonds3

About 4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine

4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine (PubChem CID 100651914) has the molecular formula C16H21N5S2 and a molecular weight of 347.51 g/mol. Its IUPAC name is 4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine
PubChem CID100651914
Molecular FormulaC16H21N5S2
Molecular Weight347.51 g/mol
Exact Mass347.12
IUPAC Name4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine
SMILESCc1nc([C@@H]2CCCN2c2cc(N3CCSCC3)ncn2)cs1
InChIInChI=1S/C16H21N5S2/c1-12-19-13(10-23-12)14-3-2-4-21(14)16-9-15(17-11-18-16)20-5-7-22-8-6-20/h9-11,14H,2-8H2,1H3/t14-/m0/s1
InChIKeyCDNYWYXZEWMVGA-AWEZNQCLSA-N
XLogP3.14
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
CID 125138191
[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 95763979
4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 133492915
4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
CID 167992321
2-methyl-4-[(2S)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazole
CID 125138200
6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine
CID 166225989
4-[(2R)-1-(4-methyl-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 169049294
4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 95829363
4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine
CID 99798115
N-methyl-6-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyridin-2-amine
CID 110270893
4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine
CID 125138768
5-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2-nitrobenzonitrile
CID 125138190

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine?
The IUPAC name of 4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine (CID 100651914) is 4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine is Cc1nc([C@@H]2CCCN2c2cc(N3CCSCC3)ncn2)cs1.
What is the InChIKey of 4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine?
The InChIKey is CDNYWYXZEWMVGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5S2/c1-12-19-13(10-23-12)14-3-2-4-21(14)16-9-15(17-11-18-16)20-5-7-22-8-6-20/h9-11,14H,2-8H2,1H3/t14-/m0/s1.
What are the key properties of 4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine?
4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine has a molecular weight of 347.51 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine is sourced from PubChem (CID 100651914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).