N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C17H20N6S2 — CID 142770124

IUPACN-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nccs2)nc(C2CCCCN2Cc2nccs2)n1
InChIInChI=1S/C17H20N6S2/c1-12-10-14(22-17-19-6-9-25-17)21-16(20-12)13-4-2-3-7-23(13)11-15-18-5-8-24-15/h5-6,8-10,13H,2-4,7,11H2,1H3,(H,19,20,21,22)
InChIKeyOOSJMMGQFHBLAM-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.17
Rot. Bonds5

About N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 142770124) has the molecular formula C17H20N6S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID142770124
Molecular FormulaC17H20N6S2
Molecular Weight372.52 g/mol
Exact Mass372.12
IUPAC NameN-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nccs2)nc(C2CCCCN2Cc2nccs2)n1
InChIInChI=1S/C17H20N6S2/c1-12-10-14(22-17-19-6-9-25-17)21-16(20-12)13-4-2-3-7-23(13)11-15-18-5-8-24-15/h5-6,8-10,13H,2-4,7,11H2,1H3,(H,19,20,21,22)
InChIKeyOOSJMMGQFHBLAM-UHFFFAOYSA-N
XLogP4.17
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 142770124) is N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1cc(Nc2nccs2)nc(C2CCCCN2Cc2nccs2)n1.
What is the InChIKey of N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is OOSJMMGQFHBLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S2/c1-12-10-14(22-17-19-6-9-25-17)21-16(20-12)13-4-2-3-7-23(13)11-15-18-5-8-24-15/h5-6,8-10,13H,2-4,7,11H2,1H3,(H,19,20,21,22).
What are the key properties of N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 372.52 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 142770124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).