N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H21N5S — CID 56889001

IUPACN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ncsc1CCN(C)c1cc(C(C)C)nc2ccnn12
InChIInChI=1S/C16H21N5S/c1-11(2)13-9-16(21-15(19-13)5-7-18-21)20(4)8-6-14-12(3)17-10-22-14/h5,7,9-11H,6,8H2,1-4H3
InChIKeyNIQBFZGDQABEDL-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.30
Rot. Bonds5

About N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56889001) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56889001
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ncsc1CCN(C)c1cc(C(C)C)nc2ccnn12
InChIInChI=1S/C16H21N5S/c1-11(2)13-9-16(21-15(19-13)5-7-18-21)20(4)8-6-14-12(3)17-10-22-14/h5,7,9-11H,6,8H2,1-4H3
InChIKeyNIQBFZGDQABEDL-UHFFFAOYSA-N
XLogP3.30
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56889001) is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1ncsc1CCN(C)c1cc(C(C)C)nc2ccnn12.
What is the InChIKey of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NIQBFZGDQABEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-11(2)13-9-16(21-15(19-13)5-7-18-21)20(4)8-6-14-12(3)17-10-22-14/h5,7,9-11H,6,8H2,1-4H3.
What are the key properties of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 315.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56889001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).