8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine

C19H17N3S — CID 147935865

IUPAC8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine
SMILESCc1cc2c(ccc3cnc(N[C@@H](C)c4ccccc4)nc32)s1
InChIInChI=1S/C19H17N3S/c1-12-10-16-17(23-12)9-8-15-11-20-19(22-18(15)16)21-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,20,21,22)/t13-/m0/s1
InChIKeyIKUCOENOBFZCFG-ZDUSSCGKSA-N
MW319.43 g/mol
LogP5.33
Rot. Bonds3

About 8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine

8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine (PubChem CID 147935865) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine.

Molecular Properties

Compound Name8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine
PubChem CID147935865
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine
SMILESCc1cc2c(ccc3cnc(N[C@@H](C)c4ccccc4)nc32)s1
InChIInChI=1S/C19H17N3S/c1-12-10-16-17(23-12)9-8-15-11-20-19(22-18(15)16)21-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,20,21,22)/t13-/m0/s1
InChIKeyIKUCOENOBFZCFG-ZDUSSCGKSA-N
XLogP5.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol
CID 153030707
2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45153512
4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 90977535
4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
CID 19897292
2-methylbenzo[e][1]benzothiole
CID 13101461
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 5050817
5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
CID 23543635
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine?
The IUPAC name of 8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine (CID 147935865) is 8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine.
What is the SMILES notation for 8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine?
The canonical SMILES for 8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine is Cc1cc2c(ccc3cnc(N[C@@H](C)c4ccccc4)nc32)s1.
What is the InChIKey of 8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine?
The InChIKey is IKUCOENOBFZCFG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N3S/c1-12-10-16-17(23-12)9-8-15-11-20-19(22-18(15)16)21-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of 8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine?
8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine has a molecular weight of 319.43 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine is sourced from PubChem (CID 147935865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).