N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C19H19N5S — CID 95781512

IUPACN-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(N[C@H](c3ncc(C)s3)C3CC3)c3ccccc3n2n1
InChIInChI=1S/C19H19N5S/c1-11-9-16-21-18(14-5-3-4-6-15(14)24(16)23-11)22-17(13-7-8-13)19-20-10-12(2)25-19/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyCHGSVIJRGAEFGW-KRWDZBQOSA-N
MW349.46 g/mol
LogP4.52
Rot. Bonds4

About N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 95781512) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID95781512
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC NameN-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(N[C@H](c3ncc(C)s3)C3CC3)c3ccccc3n2n1
InChIInChI=1S/C19H19N5S/c1-11-9-16-21-18(14-5-3-4-6-15(14)24(16)23-11)22-17(13-7-8-13)19-20-10-12(2)25-19/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyCHGSVIJRGAEFGW-KRWDZBQOSA-N
XLogP4.52
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 95781512) is N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is Cc1cc2nc(N[C@H](c3ncc(C)s3)C3CC3)c3ccccc3n2n1.
What is the InChIKey of N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is CHGSVIJRGAEFGW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N5S/c1-11-9-16-21-18(14-5-3-4-6-15(14)24(16)23-11)22-17(13-7-8-13)19-20-10-12(2)25-19/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 349.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 95781512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).