N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

C14H17N5S — CID 63091780

IUPACN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCc2cnc3cc(C)nn3c2)n1
InChIInChI=1S/C14H17N5S/c1-9-4-13-16-6-12(7-19(13)18-9)5-15-11(3)14-17-10(2)8-20-14/h4,6-8,11,15H,5H2,1-3H3
InChIKeyQKSHOUDOQLITOE-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.65
Rot. Bonds4

About N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 63091780) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID63091780
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCc2cnc3cc(C)nn3c2)n1
InChIInChI=1S/C14H17N5S/c1-9-4-13-16-6-12(7-19(13)18-9)5-15-11(3)14-17-10(2)8-20-14/h4,6-8,11,15H,5H2,1-3H3
InChIKeyQKSHOUDOQLITOE-UHFFFAOYSA-N
XLogP2.65
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine with MolForge

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Related Compounds

N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine
CID 62405315
(1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 81354135
2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
CID 115644595
4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol
CID 103700937
1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine
CID 65047758
1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 62405500
(1S)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951012
N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 115600363
(2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
CID 103924365
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091931
1-(4-bromothiophen-2-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]methanamine
CID 62404239
N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091781

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 63091780) is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(C(C)NCc2cnc3cc(C)nn3c2)n1.
What is the InChIKey of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is QKSHOUDOQLITOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-9-4-13-16-6-12(7-19(13)18-9)5-15-11(3)14-17-10(2)8-20-14/h4,6-8,11,15H,5H2,1-3H3.
What are the key properties of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 287.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63091780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).