2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine

C18H18N4S — CID 95068261

IUPAC2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(N[C@@H](C)c3ccc(C)s3)c3ccccc3n2n1
InChIInChI=1S/C18H18N4S/c1-11-10-17-20-18(19-13(3)16-9-8-12(2)23-16)14-6-4-5-7-15(14)22(17)21-11/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyWWBULOXORQTLRX-ZDUSSCGKSA-N
MW322.44 g/mol
LogP4.73
Rot. Bonds3

About 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine

2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 95068261) has the molecular formula C18H18N4S and a molecular weight of 322.44 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine
PubChem CID95068261
Molecular FormulaC18H18N4S
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC Name2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(N[C@@H](C)c3ccc(C)s3)c3ccccc3n2n1
InChIInChI=1S/C18H18N4S/c1-11-10-17-20-18(19-13(3)16-9-8-12(2)23-16)14-6-4-5-7-15(14)22(17)21-11/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyWWBULOXORQTLRX-ZDUSSCGKSA-N
XLogP4.73
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
CID 49830886
CID 49830886
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
CID 138857395
3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
CID 2136382
3-(Benzenesulfonyl)-N-(2-methylcyclohexyl)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
CID 18559434
3-(Benzenesulfonyl)-N-(butan-2-YL)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
CID 20878443
N-(1-ethyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2-thiophenecarboxamide
CID 947170
5-(Piperidin-3-yl)-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224363
5-(Piperidin-3-yl)-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224365
N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
CID 51036856
4-N-benzyl-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 49789564
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 6623104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine (CID 95068261) is 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine is Cc1cc2nc(N[C@@H](C)c3ccc(C)s3)c3ccccc3n2n1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is WWBULOXORQTLRX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N4S/c1-11-10-17-20-18(19-13(3)16-9-8-12(2)23-16)14-6-4-5-7-15(14)22(17)21-11/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine?
2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 322.44 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 95068261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).