N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C18H21F3N4OS — CID 31938450

IUPACN-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNc1nc(SCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)nc2ccccc12
InChIInChI=1S/C18H21F3N4OS/c1-11(12-7-8-12)25(10-18(19,20)21)15(26)9-27-17-23-14-6-4-3-5-13(14)16(22-2)24-17/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,24)/t11-/m1/s1
InChIKeyIZFBMIZCYNNSAQ-LLVKDONJSA-N
MW398.45 g/mol
LogP3.95
Rot. Bonds7

About N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 31938450) has the molecular formula C18H21F3N4OS and a molecular weight of 398.45 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID31938450
Molecular FormulaC18H21F3N4OS
Molecular Weight398.45 g/mol
Exact Mass398.14
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNc1nc(SCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)nc2ccccc12
InChIInChI=1S/C18H21F3N4OS/c1-11(12-7-8-12)25(10-18(19,20)21)15(26)9-27-17-23-14-6-4-3-5-13(14)16(22-2)24-17/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,24)/t11-/m1/s1
InChIKeyIZFBMIZCYNNSAQ-LLVKDONJSA-N
XLogP3.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 7998928
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[4-(methylamino)quinazolin-2-yl]sulfanylethanone
CID 25488988
2-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 112682892
N-benzyl-N-(1-cyclopropylethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 55399369
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7989805
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 42051879
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
CID 17426578
N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775458
N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775243
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7863468
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17427665
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9269363

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 31938450) is N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is CNc1nc(SCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)nc2ccccc12.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IZFBMIZCYNNSAQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21F3N4OS/c1-11(12-7-8-12)25(10-18(19,20)21)15(26)9-27-17-23-14-6-4-3-5-13(14)16(22-2)24-17/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,24)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 398.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 31938450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).