1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine

C16H23N5S2 — CID 97188941

IUPAC1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
SMILESCSc1nccc(N2CCC(N[C@@H](C)c3nc(C)cs3)CC2)n1
InChIInChI=1S/C16H23N5S2/c1-11-10-23-15(18-11)12(2)19-13-5-8-21(9-6-13)14-4-7-17-16(20-14)22-3/h4,7,10,12-13,19H,5-6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyNCXSLBWRHJQHRB-LBPRGKRZSA-N
MW349.53 g/mol
LogP3.28
Rot. Bonds5

About 1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine

1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine (PubChem CID 97188941) has the molecular formula C16H23N5S2 and a molecular weight of 349.53 g/mol. Its IUPAC name is 1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
PubChem CID97188941
Molecular FormulaC16H23N5S2
Molecular Weight349.53 g/mol
Exact Mass349.14
IUPAC Name1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
SMILESCSc1nccc(N2CCC(N[C@@H](C)c3nc(C)cs3)CC2)n1
InChIInChI=1S/C16H23N5S2/c1-11-10-23-15(18-11)12(2)19-13-5-8-21(9-6-13)14-4-7-17-16(20-14)22-3/h4,7,10,12-13,19H,5-6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyNCXSLBWRHJQHRB-LBPRGKRZSA-N
XLogP3.28
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine (CID 97188941) is 1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine is CSc1nccc(N2CCC(N[C@@H](C)c3nc(C)cs3)CC2)n1.
What is the InChIKey of 1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine?
The InChIKey is NCXSLBWRHJQHRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5S2/c1-11-10-23-15(18-11)12(2)19-13-5-8-21(9-6-13)14-4-7-17-16(20-14)22-3/h4,7,10,12-13,19H,5-6,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine?
1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine has a molecular weight of 349.53 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 97188941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).