N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine

C18H21N5S — CID 126463349

IUPACN,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine
SMILESCN(C)c1nc(CN2CCCC2c2nccs2)nc2ccccc12
InChIInChI=1S/C18H21N5S/c1-22(2)17-13-6-3-4-7-14(13)20-16(21-17)12-23-10-5-8-15(23)18-19-9-11-24-18/h3-4,6-7,9,11,15H,5,8,10,12H2,1-2H3
InChIKeyKIQDNEBMYSHXNI-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.49
Rot. Bonds4

About N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine

N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine (PubChem CID 126463349) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine
PubChem CID126463349
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC NameN,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine
SMILESCN(C)c1nc(CN2CCCC2c2nccs2)nc2ccccc12
InChIInChI=1S/C18H21N5S/c1-22(2)17-13-6-3-4-7-14(13)20-16(21-17)12-23-10-5-8-15(23)18-19-9-11-24-18/h3-4,6-7,9,11,15H,5,8,10,12H2,1-2H3
InChIKeyKIQDNEBMYSHXNI-UHFFFAOYSA-N
XLogP3.49
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine (CID 126463349) is N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine is CN(C)c1nc(CN2CCCC2c2nccs2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is KIQDNEBMYSHXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-22(2)17-13-6-3-4-7-14(13)20-16(21-17)12-23-10-5-8-15(23)18-19-9-11-24-18/h3-4,6-7,9,11,15H,5,8,10,12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine?
N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 339.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 126463349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).