2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine

C20H18N4S2 — CID 25352181

IUPAC2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCc3sccc3[C@H]2c2cccs2)nc2ccccc12
InChIInChI=1S/C20H18N4S2/c21-20-13-4-1-2-5-15(13)22-18(23-20)12-24-9-7-16-14(8-11-26-16)19(24)17-6-3-10-25-17/h1-6,8,10-11,19H,7,9,12H2,(H2,21,22,23)/t19-/m0/s1
InChIKeyCXUJLLYGQXCJME-IBGZPJMESA-N
MW378.53 g/mol
LogP4.48
Rot. Bonds3

About 2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine

2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine (PubChem CID 25352181) has the molecular formula C20H18N4S2 and a molecular weight of 378.53 g/mol. Its IUPAC name is 2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine
PubChem CID25352181
Molecular FormulaC20H18N4S2
Molecular Weight378.53 g/mol
Exact Mass378.10
IUPAC Name2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCc3sccc3[C@H]2c2cccs2)nc2ccccc12
InChIInChI=1S/C20H18N4S2/c21-20-13-4-1-2-5-15(13)22-18(23-20)12-24-9-7-16-14(8-11-26-16)19(24)17-6-3-10-25-17/h1-6,8,10-11,19H,7,9,12H2,(H2,21,22,23)/t19-/m0/s1
InChIKeyCXUJLLYGQXCJME-IBGZPJMESA-N
XLogP4.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine with MolForge

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Related Compounds

2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole
CID 9208208
5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 24513127
3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
CID 24648961
5-butyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 75853568
2-cyclopropyl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
CID 47704366
N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55412408
N-phenyl-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128634
5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid
CID 146134819
1-(azocan-1-yl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9129368
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
[3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxetan-3-yl]methanol
CID 111976545
1-(2,3-dihydroindol-1-yl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 46615492

Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine (CID 25352181) is 2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine is Nc1nc(CN2CCc3sccc3[C@H]2c2cccs2)nc2ccccc12.
What is the InChIKey of 2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine?
The InChIKey is CXUJLLYGQXCJME-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N4S2/c21-20-13-4-1-2-5-15(13)22-18(23-20)12-24-9-7-16-14(8-11-26-16)19(24)17-6-3-10-25-17/h1-6,8,10-11,19H,7,9,12H2,(H2,21,22,23)/t19-/m0/s1.
What are the key properties of 2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine?
2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine has a molecular weight of 378.53 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 25352181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).