(1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine

C18H21N5S — CID 97103526

IUPAC(1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
SMILESCc1c([C@@H](C)NCc2nc(C3CC3)cs2)cnn1-c1ccccn1
InChIInChI=1S/C18H21N5S/c1-12(20-10-18-22-16(11-24-18)14-6-7-14)15-9-21-23(13(15)2)17-5-3-4-8-19-17/h3-5,8-9,11-12,14,20H,6-7,10H2,1-2H3/t12-/m1/s1
InChIKeyPLOIGHWWWQREPV-GFCCVEGCSA-N
MW339.47 g/mol
LogP3.76
Rot. Bonds6

About (1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine

(1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine (PubChem CID 97103526) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is (1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
PubChem CID97103526
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC Name(1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
SMILESCc1c([C@@H](C)NCc2nc(C3CC3)cs2)cnn1-c1ccccn1
InChIInChI=1S/C18H21N5S/c1-12(20-10-18-22-16(11-24-18)14-6-7-14)15-9-21-23(13(15)2)17-5-3-4-8-19-17/h3-5,8-9,11-12,14,20H,6-7,10H2,1-2H3/t12-/m1/s1
InChIKeyPLOIGHWWWQREPV-GFCCVEGCSA-N
XLogP3.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine?
The IUPAC name of (1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine (CID 97103526) is (1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for (1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine is Cc1c([C@@H](C)NCc2nc(C3CC3)cs2)cnn1-c1ccccn1.
What is the InChIKey of (1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine?
The InChIKey is PLOIGHWWWQREPV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N5S/c1-12(20-10-18-22-16(11-24-18)14-6-7-14)15-9-21-23(13(15)2)17-5-3-4-8-19-17/h3-5,8-9,11-12,14,20H,6-7,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine?
(1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine has a molecular weight of 339.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 97103526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).