(1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine

C19H19N5S — CID 95216814

IUPAC(1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESC[C@@H](c1cncs1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C19H19N5S/c1-14(18-10-20-13-25-18)23(2)11-15-8-21-19-17(9-22-24(19)12-15)16-6-4-3-5-7-16/h3-10,12-14H,11H2,1-2H3/t14-/m0/s1
InChIKeyNLUGHSNEJUWNRD-AWEZNQCLSA-N
MW349.46 g/mol
LogP4.05
Rot. Bonds5

About (1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine

(1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 95216814) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is (1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID95216814
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name(1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESC[C@@H](c1cncs1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C19H19N5S/c1-14(18-10-20-13-25-18)23(2)11-15-8-21-19-17(9-22-24(19)12-15)16-6-4-3-5-7-16/h3-10,12-14H,11H2,1-2H3/t14-/m0/s1
InChIKeyNLUGHSNEJUWNRD-AWEZNQCLSA-N
XLogP4.05
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine
CID 56716440
N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 56705953
N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56711698
N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine
CID 74241148
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56712418
(2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine
CID 56704570
2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol
CID 56704340
[3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol
CID 56702001
4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine
CID 56701359
N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide
CID 72916321
3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol
CID 58691597
1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-ol
CID 56701762

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of (1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine (CID 95216814) is (1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine is C[C@@H](c1cncs1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1.
What is the InChIKey of (1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is NLUGHSNEJUWNRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N5S/c1-14(18-10-20-13-25-18)23(2)11-15-8-21-19-17(9-22-24(19)12-15)16-6-4-3-5-7-16/h3-10,12-14H,11H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
(1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 349.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 95216814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).