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

C18H23N5S2 — CID 97282235

IUPACN-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCc1nc(N2CCC(N[C@@H](C)c3csc(C)n3)CC2)c2ccsc2n1
InChIInChI=1S/C18H23N5S2/c1-11(16-10-25-13(3)22-16)19-14-4-7-23(8-5-14)17-15-6-9-24-18(15)21-12(2)20-17/h6,9-11,14,19H,4-5,7-8H2,1-3H3/t11-/m0/s1
InChIKeyQSZQIYDWWMILHF-NSHDSACASA-N
MW373.55 g/mol
LogP4.08
Rot. Bonds4

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

N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 97282235) has the molecular formula C18H23N5S2 and a molecular weight of 373.55 g/mol. Its IUPAC name is N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID97282235
Molecular FormulaC18H23N5S2
Molecular Weight373.55 g/mol
Exact Mass373.14
IUPAC NameN-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCc1nc(N2CCC(N[C@@H](C)c3csc(C)n3)CC2)c2ccsc2n1
InChIInChI=1S/C18H23N5S2/c1-11(16-10-25-13(3)22-16)19-14-4-7-23(8-5-14)17-15-6-9-24-18(15)21-12(2)20-17/h6,9-11,14,19H,4-5,7-8H2,1-3H3/t11-/m0/s1
InChIKeyQSZQIYDWWMILHF-NSHDSACASA-N
XLogP4.08
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine (CID 97282235) is N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine is Cc1nc(N2CCC(N[C@@H](C)c3csc(C)n3)CC2)c2ccsc2n1.
What is the InChIKey of N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is QSZQIYDWWMILHF-NSHDSACASA-N. The full InChI is InChI=1S/C18H23N5S2/c1-11(16-10-25-13(3)22-16)19-14-4-7-23(8-5-14)17-15-6-9-24-18(15)21-12(2)20-17/h6,9-11,14,19H,4-5,7-8H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 373.55 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 97282235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).