5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine

C14H18FN5S — CID 139500253

IUPAC5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CC[C@H](Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C14H18FN5S/c1-16-14-19-7-12(21-14)9-20-3-2-10(8-20)4-13-17-5-11(15)6-18-13/h5-7,10H,2-4,8-9H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyHCZDAQSLMFWOEN-SNVBAGLBSA-N
MW307.40 g/mol
LogP2.18
Rot. Bonds5

About 5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine

5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 139500253) has the molecular formula C14H18FN5S and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID139500253
Molecular FormulaC14H18FN5S
Molecular Weight307.40 g/mol
Exact Mass307.13
IUPAC Name5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CC[C@H](Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C14H18FN5S/c1-16-14-19-7-12(21-14)9-20-3-2-10(8-20)4-13-17-5-11(15)6-18-13/h5-7,10H,2-4,8-9H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyHCZDAQSLMFWOEN-SNVBAGLBSA-N
XLogP2.18
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (CID 139500253) is 5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is CNc1ncc(CN2CC[C@H](Cc3ncc(F)cn3)C2)s1.
What is the InChIKey of 5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is HCZDAQSLMFWOEN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18FN5S/c1-16-14-19-7-12(21-14)9-20-3-2-10(8-20)4-13-17-5-11(15)6-18-13/h5-7,10H,2-4,8-9H2,1H3,(H,16,19)/t10-/m1/s1.
What are the key properties of 5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 307.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 139500253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).